SCHEMBL4411782

SCHEMBL4411782

CC(CNC(=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.37
CDK9 P50750 7/20 0.37
CCNT1 O60563 6/20 0.37
CCNE1 P24864 3/20 0.37
MAPK10 P53779 2/20 0.34
CDK4 P11802 2/20 0.33
EGFR P00533 2/20 0.33
FGFR1 P11362 2/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPK1 P28482 1/20 0.33
SYK P43405 1/20 0.33
WEE1 P30291 1/20 0.33

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
SCHEMBL4418433 0.87 CDK2 (0.47) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4417977 0.86 MAPK1 (0.39) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4410855 0.86 CCNT1 (0.42) CDK2CDK9CCNT1CCNE1FGFR1
SCHEMBL4415084 0.85 MAPK10 (0.36) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4412920 0.85 MAPK10 (0.36) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4413555 0.85 BRAF (0.38) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4416330 0.85 CDK2 (0.45) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4416830 0.85 BRAF (0.44) CDK2CDK9CCNT1CCNE1ULK1
SCHEMBL4417149 0.85 FGFR1 (0.39) CDK2CDK9CCNT1CCNE1MAPK10
SCHEMBL4410707 0.84 TBK1 (0.38) CDK2CDK9CCNT1CCNE1MAPK10

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-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed