SCHEMBL3092283

SCHEMBL3092283

CCOC(=O)c1cnc(S)nc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 9/20 0.60
SMN1; SMN2 Q16637 9/20 0.60
ALDH1A1 P00352 8/20 0.60
MAPT P10636 6/20 0.60
TP53 P04637 1/20 0.60
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 4/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6604256 0.84 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3222155 0.84 HSP90AA1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27875880 0.84 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10958445 0.83 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4039662 0.82 TSHR (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11319860 0.81 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1992777 0.81 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5805980 0.81 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16697354 0.81 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13174946 0.81 HSP90AA1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028622-B Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester, and preparation method and application thereof 常州大学 2023-08-22 CN claimed
CN-115028622-A Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester and preparation method and application thereof 常州大学 2022-09-09 CN claimed
CN-114316096-A Functionalized polyolefin elastomer and preparation method thereof 常州汉韦聚合物有限公司 2022-04-12 CN claimed
CN-115028622-B Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester, and preparation method and application thereof 常州大学 2023-08-22 CN disclosed
CN-115028622-B Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester, and preparation method and application thereof 常州大学 2023-08-22 CN disclosed
CN-115028622-B Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester, and preparation method and application thereof 常州大学 2023-08-22 CN disclosed
CN-115028622-A Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester and preparation method and application thereof 常州大学 2022-09-09 CN disclosed
CN-115028622-A Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester and preparation method and application thereof 常州大学 2022-09-09 CN disclosed
CN-115028622-A Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester and preparation method and application thereof 常州大学 2022-09-09 CN disclosed
CN-114316096-A Functionalized polyolefin elastomer and preparation method thereof 常州汉韦聚合物有限公司 2022-04-12 CN disclosed
CN-107849059-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 伊莱利利公司 2020-04-28 CN disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
EP-1226144-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP disclosed
CN-1324360-A Bicyclic nitrogen heterocycles HOFFMANN LA ROCHE (CH) 2001-11-28 CN disclosed
EP-1123295-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
WO-2001029041-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
US-6150373-A AMINO-SUBSTITUTED DIHYDROPYRIMIDO(4,5-D)PYRIMIDINONE DERIVATIVES; INHIBITORS OF THE T-CELL TYROSINE KINASE P56LCK; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY/-CARCINOGENIC AGENTS; BRONCHOPULMONARY, DERMATOLOGICAL AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000024744-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed
EP-0046856-A2 Process for preparing 4-amino-2-mercapto-pyrimidines HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1982-03-10 EP disclosed