SCHEMBL5338665

SCHEMBL5338665

CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2C)n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.77
KDR P35968 9/20 0.77
AURKB Q96GD4 14/20 0.68
AURKA O14965 10/20 0.68
TPX2 Q9ULW0 7/20 0.68
LCK P06239 4/20 0.68
ABL1 P00519 1/20 0.68
CSF1R P07333 1/20 0.68
KIT P10721 1/20 0.68
SRC P12931 1/20 0.68
MAPK14 Q16539 1/20 0.68
YES1 P07947 1/20 0.57

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
SCHEMBL1266652 0.89 TEK (0.89) TEKKDRAURKBAURKATPX2
SCHEMBL1264337 0.89 KDR (0.77) TEKKDRAURKBAURKATPX2
SCHEMBL1264069 0.88 AURKB (0.64) TEKKDRAURKBAURKATPX2
SCHEMBL1265282 0.88 TEK (0.81) TEKKDRAURKBAURKATPX2
SCHEMBL1264040 0.87 TEK (1.00) TEKKDRAURKBAURKATPX2
SCHEMBL2298875 0.87 KDR (1.00) TEKKDRAURKBAURKATPX2
SCHEMBL1264572 0.87 TEK (0.79) TEKKDRAURKBAURKATPX2
SCHEMBL1265717 0.87 TEK (0.81) TEKKDRAURKBAURKATPX2
SCHEMBL1264779 0.87 TEK (0.81) TEKKDRAURKBAURKATPX2
SCHEMBL1264369 0.86 TEK (0.80) TEKKDRAURKBAURKATPX2

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 claimed
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 claimed