SCHEMBL6740946

SCHEMBL6740946

O=C1Nc2cccc(CCO)c2/C1=C/c1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.49
KDR P35968 3/20 0.48
CYP2A6 P11509 1/20 0.39
PDPK1 O15530 2/20 0.39
RET P07949 4/20 0.38
NPC1 O15118 1/20 0.38
PLK4 O00444 2/20 0.37
PLK1 P53350 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PDGFRB P09619 4/20 0.35
EGFR P00533 2/20 0.35
FGFR1 P11362 1/20 0.35
FLT3 P36888 1/20 0.34
ERBB2 P04626 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL6740947 1.00 CDK2 (0.49) CDK2KDRCYP2A6PDPK1RET
SCHEMBL6744866 0.81 RET (0.59) CDK2KDRCYP2A6PDPK1RET
SCHEMBL6744863 0.81 RET (0.59) CDK2KDRCYP2A6PDPK1RET
SCHEMBL6742680 0.78 CDK2 (0.53) CDK2KDRRETPLK4PLK1
SCHEMBL6742678 0.78 CDK2 (0.53) CDK2KDRRETPLK4PLK1
SCHEMBL5473028 0.76 PDGFRB (0.57) KDRPDPK1RETNPC1PLK4
SCHEMBL5473025 0.76 PDGFRB (0.57) KDRPDPK1RETNPC1PLK4
SCHEMBL6740553 0.71 CDK2 (0.50) CDK2KDRPDPK1RETALDH1A1
SCHEMBL6740554 0.71 CDK2 (0.50) CDK2KDRPDPK1RETALDH1A1
SCHEMBL6743049 0.70 CDK2 (0.45) CDK2KDRRETPLK4PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540096-A 2002-11-26 JP claimed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP claimed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO claimed
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed