SCHEMBL5205571

SCHEMBL5205571

NC(=O)c1c(N)ccc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
PDPK1 O15530 1/20 0.46
WEE1 P30291 2/20 0.44
PKMYT1 Q99640 2/20 0.44
NOS1 P29475 4/20 0.41
RIPK2 O43353 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PIM1 P11309 1/20 0.38
GRK2 P25098 1/20 0.38
ROCK1 Q13464 2/20 0.37
AXL P30530 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ROCK2 O75116 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL24112905 0.81 WEE1 (0.52) CCNA2CDK2CCNA1WEE1PKMYT1
SCHEMBL12321248 0.74 NOS1 (0.56) CCNA2CDK2CCNA1NOS1IDO1
SCHEMBL12439133 0.74 IDO1 (0.46) CCNA2CDK2CCNA1NOS1IDO1
SCHEMBL25288291 0.72 CCNA2 (0.53) CCNA2CDK2CCNA1PDPK1WEE1
SCHEMBL26403639 0.71 CCNA2 (0.51) CCNA2CDK2CCNA1PDPK1WEE1
SCHEMBL25776367 0.71 CCNA2 (0.48) CCNA2CDK2CCNA1WEE1PKMYT1
SCHEMBL7572936 0.71 IDO1 (0.43) CCNA2CDK2CCNA1NOS1IDO1
SCHEMBL18038216 0.71 NOS1 (0.50) CCNA2CDK2CCNA1NOS1IDO1
SCHEMBL5929682 0.71 IDO1 (0.52) CCNA2CDK2CCNA1PDPK1NOS1
SCHEMBL16178599 0.71 TRPA1 (0.47) CCNA2CDK2CCNA1NOS1IDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327643-A Method for obtaining definitive endoderm cells from human pluripotent stem cells by using YAP inhibitor 武汉大学 2024-01-02 CN disclosed
CN-115414283-B Pericarpium citri reticulatae essential oil massage oil and preparation method and application thereof 广东新会宝皮宝陈皮文化有限公司 2023-11-28 CN disclosed
CN-113813280-B Sugar ring modified compound, preparation method and application thereof in preparation of products with anti-fatigue function 中国人民解放军军事科学院军事医学研究院 2023-07-07 CN disclosed
CN-116284180-A Use of golden-silk-flos chrysanthemi-flavonoid glycoside in preparing medicament for treating hyperlipidemia and fatty liver 江苏灵源沂岸科技股份有限公司 2023-06-23 CN disclosed
EP-1294722-B1 METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES MERCK EPROVA AG (CH) 2007-08-01 EP disclosed