SCHEMBL1115329

SCHEMBL1115329

C1=NC2(CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 13/20 0.48
▸ CCND1 P24385 8/20 0.48
▸ CDK2 P24941 7/20 0.48
▸ CCNE1 P24864 4/20 0.48
▸ CDK1 P06493 3/20 0.48
▸ CCNB1 P14635 3/20 0.48
▸ CDK6 Q00534 5/20 0.47
▸ CCNA2 P20248 4/20 0.47
▸ FGFR1 P11362 3/20 0.47
▸ FGFR2 P21802 3/20 0.47
▸ FGFR4 P22455 3/20 0.47
▸ FGFR3 P22607 3/20 0.47
▸ CCND2 P30279 3/20 0.47
▸ CCND3 P30281 3/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ STK17A Q9UEE5 2/20 0.46
▸ STK17B O94768 1/20 0.46
▸ SYK P43405 2/20 0.46
▸ FLT3 P36888 1/20 0.45

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
SCHEMBL1115332 0.99 CDK4 (0.48) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115299 0.99 CDK4 (0.48) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115542 0.77 CDK4 (0.50) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115548 0.76 CDK4 (0.51) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115320 0.76 CDK4 (0.51) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115244 0.74 CDK4 (0.49) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115237 0.74 FLT3 (0.53) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1643626 0.72 WEE1 (0.47) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1115407 0.71 CDK4 (0.47) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL3590138 0.71 PDGFRB (0.62) CDK4CCND1CDK2CCNE1CDK1

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
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 — — EP claimed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 — — WO claimed
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