SCHEMBL6742680

SCHEMBL6742680

O=C1Nc2cccc(CCO)c2C1=Cc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
KDR P35968 3/20 0.52
RET P07949 4/20 0.46
PDGFRB P09619 4/20 0.45
EGFR P00533 1/20 0.45
TPI1 P60174 1/20 0.45
PLK4 O00444 2/20 0.42
FLT3 P36888 1/20 0.42
PLK1 P53350 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ERBB2 P04626 1/20 0.41
PIM1 P11309 1/20 0.40
IGF1R P08069 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL6742678 1.00 CDK2 (0.53) CDK2KDRRETPDGFRBEGFR
SCHEMBL6740947 0.78 CDK2 (0.49) CDK2KDRRETPDGFRBEGFR
SCHEMBL6740946 0.78 CDK2 (0.49) CDK2KDRRETPDGFRBEGFR
SCHEMBL6744079 0.76 GSK3B (0.57) CDK2KDRRETPDGFRBEGFR
SCHEMBL6744081 0.76 GSK3B (0.57) CDK2KDRRETPDGFRBEGFR
SCHEMBL6740553 0.75 CDK2 (0.50) CDK2KDRRETPDGFRBEGFR
SCHEMBL6740554 0.75 CDK2 (0.50) CDK2KDRRETPDGFRBEGFR
SCHEMBL6743633 0.72 CDK2 (0.48) CDK2KDRRETPDGFRBEGFR
SCHEMBL6743630 0.72 CDK2 (0.48) CDK2KDRRETPDGFRBEGFR
SCHEMBL6743049 0.72 CDK2 (0.45) CDK2KDRRETEGFRPLK4

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