SCHEMBL13897482

SCHEMBL13897482

C#CCOc1nc(Nc2cccc(N)c2)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.49
IGF1R P08069 4/20 0.46
CDK1 P06493 4/20 0.46
CDK2 P24941 4/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
ABL1 P00519 6/20 0.43
SRC P12931 4/20 0.43
KDR P35968 4/20 0.43
PRKACA P17612 2/20 0.43
ITK Q08881 2/20 0.43
MAPK1 P28482 2/20 0.43
BTK Q06187 2/20 0.43
CDK5 Q00535 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
MAPK13 O15264 1/20 0.43

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
SCHEMBL13648554 0.86 SYK (0.60) SYKCDK1CDK2CCNB1CCNE1
SCHEMBL13901453 0.86 SYK (0.49) SYKIGF1RCDK1CDK2ABL1
SCHEMBL13897817 0.84 SYK (0.52) SYKCDK1CDK2CCNB1CCNE1
SCHEMBL3867551 0.82 CDK1 (0.45) SYKIGF1RCDK1CDK2CCNB1
SCHEMBL13897528 0.81 CDK2 (0.44) SYKIGF1RCDK1CDK2CCNB1
SCHEMBL13897744 0.81 MEN1 (0.67) CDK1CDK2CCNB1CCNE1ABL1
SCHEMBL13897819 0.81 CDK2 (0.44) SYKIGF1RCDK1CDK2CCNB1
SCHEMBL13897842 0.81 TOP2A (0.39) SYKIGF1RCDK1CDK2CCNB1
SCHEMBL3868860 0.80 EGFR (0.48) SYKCDK1CDK2CCNB1CCNE1
SCHEMBL13897487 0.79 SYK (0.44) SYKCDK1CDK2CCNB1CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796437-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed