SCHEMBL4414654

SCHEMBL4414654

CNC(=O)N(OC(=O)O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.37
BRAF P15056 2/20 0.37
WEE1 P30291 2/20 0.36
MAPK10 P53779 2/20 0.36
CDK9 P50750 5/20 0.36
CDK2 P24941 4/20 0.36
CCNT1 O60563 4/20 0.36
CCNE1 P24864 3/20 0.36
PTGS2 P35354 1/20 0.35
EGFR P00533 2/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK14 Q16539 1/20 0.35
GSK3B P49841 2/20 0.35
MAPK9 P45984 1/20 0.35
CDC7 O00311 1/20 0.34

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
SCHEMBL4420904 0.83 BRAF (0.37) PTK2BRAFWEE1MAPK10CDK9
SCHEMBL4421886 0.81 GSK3B (0.38) PTK2BRAFWEE1MAPK10CDK9
SCHEMBL4417189 0.79 GSK3B (0.40) PTK2BRAFWEE1MAPK10CDK9
SCHEMBL4417056 0.78 GSK3B (0.39) PTK2BRAFWEE1MAPK10CDK9
SCHEMBL4412967 0.78 GSK3B (0.44) WEE1MAPK10CDK9CDK2PTGS2
SCHEMBL4418433 0.75 CDK2 (0.47) PTK2BRAFMAPK10CDK9CDK2
SCHEMBL4415084 0.75 MAPK10 (0.36) PTK2BRAFWEE1MAPK10CDK9
SCHEMBL4417185 0.75 PTK2 (0.40) PTK2BRAFWEE1MAPK10CDK9
SCHEMBL4411782 0.74 CDK2 (0.37) PTK2WEE1MAPK10CDK9CDK2
SCHEMBL4410707 0.74 TBK1 (0.38) PTK2BRAFMAPK10CDK9CDK2

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