SCHEMBL16314454

SCHEMBL16314454

Cc1cccc2c1OC1(CCCCC1)c1nc(Nc3ccc(N4CCNCC4)cn3)ncc1-2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.51
▸ CDK6 Q00534 9/20 0.51
▸ CCNA2 P20248 8/20 0.51
▸ CCND3 P30281 8/20 0.51
▸ CCNK O75909 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ CDK4 P11802 18/20 0.48
▸ CCND1 P24385 15/20 0.48
▸ CCNE2 O96020 2/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ PIM1 P11309 2/20 0.46
▸ CCNE1 P24864 2/20 0.46
▸ CCND2 P30279 4/20 0.46
▸ CCNA1 P78396 3/20 0.46
▸ FGFR1 P11362 3/20 0.46
▸ FGFR2 P21802 3/20 0.46
▸ FGFR4 P22455 3/20 0.46
▸ FGFR3 P22607 3/20 0.46

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
SCHEMBL1642972 0.92 CDK6 (0.49) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL1115373 0.88 CDK4 (0.48) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL1643395 0.88 CDK4 (0.46) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL1643493 0.86 CDK4 (0.51) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL1115483 0.85 CDK4 (0.52) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL2564026 0.84 CDK4 (0.53) CDK2CDK6CCNA2CCND3CDK4
SCHEMBL1115328 0.82 WEE1 (0.52) CDK2CDK6CCNA2CCND3CDK4
SCHEMBL1115188 0.78 CDK6 (0.51) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL1115336 0.78 CDK4 (0.50) CDK2CDK6CCNA2CCND3CCNK
SCHEMBL16359416 0.77 CDK4 (0.47) CDK2CDK6CCNA2CCND3CDK4

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-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 — — EP disclosed
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