SCHEMBL5261772

SCHEMBL5261772

CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cc(OCC4CCCN4C)cc(C(F)(F)F)c3)ccc2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 15/20 0.62
KDR P35968 13/20 0.62
YES1 P07947 1/20 0.57
AURKB Q96GD4 6/20 0.52
AURKA O14965 5/20 0.52
TPX2 Q9ULW0 5/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
KIT P10721 1/20 0.52
SRC P12931 1/20 0.52
MAPK14 Q16539 1/20 0.52

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
SCHEMBL1264078 1.00 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL5264046 0.93 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL1265075 0.93 TEK (0.62) TEKKDRYES1AURKBAURKA
SCHEMBL1265559 0.93 TEK (0.67) TEKKDRYES1AURKBAURKA
SCHEMBL12894949 0.93 TEK (0.67) TEKKDRYES1AURKBAURKA
SCHEMBL5261502 0.93 TEK (0.67) TEKKDRYES1AURKBAURKA
SCHEMBL1268630 0.91 TEK (0.63) TEKKDRYES1AURKBAURKA
SCHEMBL2294037 0.88 TEK (0.54) TEKKDRYES1AURKBAURKA
SCHEMBL5262311 0.88 TEK (0.54) TEKKDRYES1AURKBAURKA
SCHEMBL2299347 0.88 TEK (0.52) 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