SCHEMBL13480274

SCHEMBL13480274

Bc1cccc2c1/C(=C/c1[nH]c3c(c1C)C(=O)N(CCN1CCCCC1)CCC3)C(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 16/20 0.60
KDR P35968 16/20 0.60
KIT P10721 11/20 0.60
AURKA O14965 2/20 0.39
AURKB Q96GD4 1/20 0.39
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 0.36
TLK2 Q86UE8 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
YES1 P07947 1/20 0.36

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
SCHEMBL13480216 0.99 PDGFRB (0.61) PDGFRBKDRKITAURKAAURKB
SCHEMBL14449686 0.96 PDGFRB (0.66) PDGFRBKDRKITAURKAAURKB
SCHEMBL3135101 0.91 PDGFRB (0.62) PDGFRBKDRKITAURKAAURKB
SCHEMBL3135110 0.91 PDGFRB (0.62) PDGFRBKDRKITAURKAAURKB
SCHEMBL3130037 0.90 PDGFRB (0.60) PDGFRBKDRKITAURKAAURKB
SCHEMBL3130030 0.90 PDGFRB (0.60) PDGFRBKDRKITAURKAAURKB
SCHEMBL3144593 0.89 PDGFRB (0.61) PDGFRBKDRKITAURKAAURKB
SCHEMBL3144600 0.89 PDGFRB (0.61) PDGFRBKDRKITAURKAAURKB
SCHEMBL14450424 0.88 PDGFRB (0.68) PDGFRBKDRKITFGFR1SRC
SCHEMBL154542 0.87 PDGFRB (0.68) PDGFRBKDRKITFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP disclosed