SCHEMBL5261502

SCHEMBL5261502

CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cc(OCC4CCCN4C)cc(C(F)(F)F)c3)ccc2C)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 17/20 0.67
KDR P35968 16/20 0.67
YES1 P07947 1/20 0.67
AURKB Q96GD4 4/20 0.56
AURKA O14965 3/20 0.56
TPX2 Q9ULW0 3/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
CSF1R P07333 1/20 0.56
KIT P10721 1/20 0.56
SRC P12931 1/20 0.56
MAPK14 Q16539 1/20 0.56

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
SCHEMBL1265559 1.00 TEK (0.67) TEKKDRYES1AURKBAURKA
SCHEMBL12894949 1.00 TEK (0.67) TEKKDRYES1AURKBAURKA
SCHEMBL5264046 0.94 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL1265075 0.94 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL5261772 0.93 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL1264078 0.93 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL1267447 0.92 TEK (0.67) TEKKDRYES1LCKKIT
SCHEMBL5264772 0.92 TEK (0.67) TEKKDRYES1LCKKIT
SCHEMBL1268630 0.92 TEK (0.63) TEKKDRYES1AURKBAURKA
SCHEMBL5262311 0.90 TEK (0.54) TEKKDRYES1AURKBAURKA

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