SCHEMBL6744079

SCHEMBL6744079

O=C1Nc2cccc(CCO)c2/C1=C/c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
CDK2 P24941 2/20 0.53
KDR P35968 5/20 0.50
TGM2 P21980 2/20 0.43
RET P07949 2/20 0.39
PDPK1 O15530 2/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
IKBKB O14920 1/20 0.37
RAF1 P04049 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PRKAG1 P54619 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PRDX1 Q06830 1/20 0.37
PRKAA1 Q13131 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
SCHEMBL6744081 1.00 GSK3B (0.57) GSK3BCDK2KDRTGM2RET
SCHEMBL6740554 0.85 CDK2 (0.50) GSK3BCDK2KDRTGM2RET
SCHEMBL6740553 0.85 CDK2 (0.50) GSK3BCDK2KDRTGM2RET
SCHEMBL6742680 0.76 CDK2 (0.53) CDK2KDRRETEGFRPDGFRB
SCHEMBL6742678 0.76 CDK2 (0.53) CDK2KDRRETEGFRPDGFRB
SCHEMBL6743630 0.75 CDK2 (0.48) CDK2KDRTGM2RETPDPK1
SCHEMBL6743633 0.75 CDK2 (0.48) CDK2KDRTGM2RETPDPK1
SCHEMBL13036886 0.74 GSK3B (1.00) GSK3BKDRRETPDPK1PDGFRB
SCHEMBL11748696 0.74 GSK3B (1.00) GSK3BKDRRETPDPK1PDGFRB
SCHEMBL11748686 0.74 GSK3B (1.00) GSK3BKDRRETPDPK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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