SCHEMBL4415084

SCHEMBL4415084

CNCCNC(=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
CDK2 P24941 4/20 0.36
CDK9 P50750 4/20 0.36
CCNT1 O60563 3/20 0.36
CCNE1 P24864 3/20 0.36
PTK2 Q05397 2/20 0.36
BRAF P15056 2/20 0.35
ULK1 O75385 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
ULK2 Q8IYT8 1/20 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
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL4410707 0.95 TBK1 (0.38) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4412920 0.93 MAPK10 (0.36) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4413555 0.92 BRAF (0.38) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4416830 0.91 BRAF (0.44) CDK2CDK9CCNT1CCNE1BRAF
SCHEMBL4418433 0.90 CDK2 (0.47) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4414542 0.90 KCNH3 (0.39) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4411774 0.89 MAPK10 (0.36) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4410855 0.89 CCNT1 (0.42) CDK2CDK9CCNT1CCNE1PTK2
SCHEMBL4413438 0.89 MAPK10 (0.34) MAPK10CDK2CDK9CCNT1CCNE1
SCHEMBL4415187 0.88 MAPK8 (0.34) PTK2TBK1

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