SCHEMBL5262658

SCHEMBL5262658

CNc1nccc(-c2cccnc2Oc2cc(C(=O)NCCc3cccc(C(F)(F)F)c3)ccc2C)n1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 17/20 0.74
KDR P35968 16/20 0.74
YES1 P07947 1/20 0.74
AURKA O14965 4/20 0.63
AURKB Q96GD4 4/20 0.63
TPX2 Q9ULW0 4/20 0.63
ABL1 P00519 1/20 0.63
LCK P06239 1/20 0.63
CSF1R P07333 1/20 0.63
KIT P10721 1/20 0.63
SRC P12931 1/20 0.63
MAPK14 Q16539 1/20 0.63

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
SCHEMBL1264599 0.92 TEK (0.76) TEKKDRYES1AURKAAURKB
SCHEMBL1264498 0.85 KDR (1.00) TEKKDRYES1AURKAAURKB
SCHEMBL29433153 0.85 KDR (1.00) TEKKDRYES1AURKAAURKB
SCHEMBL1264019 0.84 KDR (0.66) TEKKDRYES1AURKAAURKB
SCHEMBL1264824 0.84 KDR (0.66) TEKKDRYES1AURKAAURKB
SCHEMBL5262659 0.83 TEK (0.75) TEKKDRYES1AURKAAURKB
SCHEMBL1264380 0.83 KDR (0.68) TEKKDRYES1AURKAAURKB
SCHEMBL1265135 0.82 KDR (0.64) TEKKDRYES1AURKAAURKB
SCHEMBL1265372 0.82 TEK (0.76) TEKKDRYES1AURKAAURKB
SCHEMBL1264024 0.82 KDR (0.63) TEKKDRYES1AURKAAURKB

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-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO disclosed