SCHEMBL4411774

SCHEMBL4411774

NS(=O)(=O)CCNC(=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.36
MAPK9 P45984 2/20 0.36
IKBKB O14920 3/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
PTGS2 P35354 1/20 0.35
TBK1 Q9UHD2 3/20 0.34
PTK2 Q05397 2/20 0.34
CDK2 P24941 4/20 0.34
CDK9 P50750 3/20 0.34
DAPK3 O43293 2/20 0.34
PAK4 O96013 2/20 0.34
FLT3 P36888 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34
MINK1 Q8N4C8 2/20 0.34
HIPK2 Q9H2X6 2/20 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
SCHEMBL4413555 0.91 BRAF (0.38) MAPK10MAPK9CDK4CCND1CCND2
SCHEMBL4415084 0.89 MAPK10 (0.36) MAPK10MAPK9CDK4CCND1CCND2
SCHEMBL4414542 0.89 KCNH3 (0.39) MAPK10MAPK9TBK1PTK2CDK2
SCHEMBL4412920 0.89 MAPK10 (0.36) MAPK10MAPK9CDK4CCND1CCND2
SCHEMBL4416830 0.89 BRAF (0.44) TBK1CDK2CDK9CCNT1CCNE1
SCHEMBL4410707 0.88 TBK1 (0.38) MAPK10CDK4CCND1CCND2CCND3
SCHEMBL4418433 0.88 CDK2 (0.47) MAPK10IKBKBPTK2CDK2CDK9
SCHEMBL4410855 0.86 CCNT1 (0.42) TBK1PTK2CDK2CDK9CCNT1
SCHEMBL4413438 0.86 MAPK10 (0.34) MAPK10MAPK9CDK4CCND1CCND2
SCHEMBL4413552 0.86 MEN1 (0.40) TBK1AURKAMARK3

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