SCHEMBL6995364

SCHEMBL6995364

O=C1Cc2c(ccc3nc(-c4ccccc4)oc23)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GPR119 Q8TDV5 7/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
F2 P00734 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL6998254 0.78 ELANE (0.40) ELANEALDH1A1GPR119NPC1RAB9A
SCHEMBL6998973 0.70 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL24294955 0.70 ELANE (0.56) ELANEDHODHALDH1A1NPC1RAB9A
SCHEMBL29728175 0.70 ELANE (0.56) ELANEDHODHALDH1A1NPC1RAB9A
SCHEMBL29124061 0.70 CDK5 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2CCNT1
SCHEMBL272702 0.68 ELANE (1.00) ELANEALDH1A1NPC1RAB9ARXFP1
SCHEMBL29382161 0.68 ELANE (1.00) ELANEALDH1A1NPC1RAB9ARXFP1
SCHEMBL29138310 0.66 ELANE (0.51) ELANEDHODHALDH1A1NPC1RAB9A
SCHEMBL24466886 0.66 ELANE (0.51) ELANEDHODHALDH1A1NPC1RAB9A
SCHEMBL16090319 0.66 GRIA1 (0.53) CDK2GSK3BCDK9CDK5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed