SCHEMBL4410855

SCHEMBL4410855

CN(C)CCCNC(=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.42
CDK2 P24941 4/20 0.42
CDK9 P50750 4/20 0.42
CCNE1 P24864 2/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
CCNA2 P20248 2/20 0.39
CCNA1 P78396 1/20 0.38
PTK2 Q05397 2/20 0.37
FGFR1 P11362 4/20 0.37
NR4A1 P22736 2/20 0.36
TBK1 Q9UHD2 3/20 0.36
IGF1R P08069 1/20 0.35
BRAF P15056 1/20 0.35
WEE1 P30291 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
SCHEMBL4418433 0.95 CDK2 (0.47) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4414542 0.92 KCNH3 (0.39) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL4410707 0.91 TBK1 (0.38) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4413555 0.90 BRAF (0.38) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4415084 0.89 MAPK10 (0.36) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4412920 0.89 MAPK10 (0.36) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4416830 0.88 BRAF (0.44) CCNT1CDK2CDK9CCNE1TBK1
SCHEMBL4411789 0.86 CDK2 (0.40) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4411774 0.86 MAPK10 (0.36) CCNT1CDK2CDK9CCNE1ABL1
SCHEMBL4417149 0.86 FGFR1 (0.39) CCNT1CDK2CDK9CCNE1ABL1

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