SCHEMBL8099485

SCHEMBL8099485

Nc1ccc2c(c1)C(=Cc1ccc(O)c3ncccc13)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.52
RET P07949 6/20 0.48
ALK Q9UM73 4/20 0.48
FLT3 P36888 2/20 0.48
PDPK1 O15530 1/20 0.48
RPS6KA3 P51812 1/20 0.47
CHEK1 O14757 3/20 0.47
HSP90AA1 P07900 2/20 0.47
IDO1 P14902 2/20 0.47
CHEK2 O96017 1/20 0.47
CDK1 P06493 1/20 0.47
SRC P12931 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1389131 0.92 DHFR (0.52) DHFRRETALKFLT3PDPK1
SCHEMBL8099054 0.89 PDPK1 (0.50) PDPK1CHEK1HSP90AA1IDO1CHEK2
SCHEMBL8099047 0.87 PLK4 (0.56) RETRPS6KA3CHEK1HSP90AA1IDO1
SCHEMBL8099022 0.87 FLT3 (0.53) ALKFLT3RPS6KA3CHEK1HSP90AA1
SCHEMBL8348594 0.86 KDM4E (0.52) CHEK1HSP90AA1IDO1CHEK2CDK1
SCHEMBL8300100 0.85 MAP3K7 (0.62) RETALKFLT3RPS6KA3CHEK1
SCHEMBL7872417 0.85 MAP3K7 (0.62) RETALKFLT3RPS6KA3CHEK1
SCHEMBL8497904 0.82 PAK1 (0.47) PDPK1
SCHEMBL1389087 0.81 PDPK1 (0.50) PDPK1CHEK1CDK1MAP3K7TAB1
SCHEMBL8506386 0.80 TLK2 (0.47) PDPK1CHEK1CHEK2CDK1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658159-B1 ARYLIDENE AND HETEROARYLIDENE OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2000-08-23 EP claimed
US-5905149-A CHEMICAL CONDENSATION OF ALDEHYDE WITH INDOLONE COMPOUND PHARMACIA & UPJOHN S.P.A (IT) 1999-05-18 US disclosed
EP-0876365-A1 SUBSTITUTED QUINOLYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1998-11-11 EP disclosed
WO-1997046551-A1 SUBSTITUTED QUINOLYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-11 WO disclosed