SCHEMBL14449686

SCHEMBL14449686

Bc1cccc2c1/C(=C/c1[nH]c3c(c1C)C(=O)N(CCN1CCCCC1)CC3)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.66
KDR P35968 15/20 0.66
KIT P10721 11/20 0.66
FGFR1 P11362 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK2 P24941 1/20 0.37
TLK2 Q86UE8 1/20 0.36
SRC P12931 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL13480274 0.96 PDGFRB (0.60) PDGFRBKDRKITFGFR1AURKA
SCHEMBL13480216 0.95 PDGFRB (0.61) PDGFRBKDRKITFGFR1AURKA
SCHEMBL14450424 0.92 PDGFRB (0.68) PDGFRBKDRKITFGFR1CDK2
SCHEMBL137191 0.91 PDGFRB (0.68) PDGFRBKDRKITFGFR1CDK2
SCHEMBL154542 0.91 PDGFRB (0.68) PDGFRBKDRKITFGFR1CDK2
SCHEMBL151726 0.90 PDGFRB (0.69) PDGFRBKDRKITFGFR1CDK2
SCHEMBL138485 0.90 PDGFRB (0.69) PDGFRBKDRKITFGFR1CDK2
SCHEMBL139567 0.90 KDR (0.66) PDGFRBKDRKITFGFR1AURKA
SCHEMBL155415 0.90 KDR (0.66) PDGFRBKDRKITFGFR1AURKA
SCHEMBL155936 0.89 KDR (0.67) PDGFRBKDRKITFGFR1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973910-B1 PYRROLO[3,2-C]PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARM CO LTD (CN) 2013-06-26 EP disclosed
WO-2007085188-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2007-08-02 WO disclosed