SCHEMBL2569620

SCHEMBL2569620

O=C(O)N1CCN(c2ccc(Nc3ncc4c(n3)C3(CCCCC3)c3ccccc3-4)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.45
▸ AXL P30530 6/20 0.44
▸ STAT6 P42226 2/20 0.43
▸ SYK P43405 7/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL1115374 0.87 CCND3 (0.57) ALKAXLSYKCDK4CCND1
SCHEMBL1644117 0.86 CDK4 (0.39) ALKAXLSTAT6SYKTNK2
SCHEMBL1115244 0.85 CDK4 (0.49) STAT6SYKCDK4CCND1CCND2
SCHEMBL1115321 0.84 ALK (0.42) ALKAXLSTAT6SYKCDK4
SCHEMBL1115476 0.82 CDK2 (0.45) STAT6TNK2CDK4CCND1CCND2
SCHEMBL1115315 0.82 TNK2 (0.55) ALKTNK2CDK4CCND1CCND2
SCHEMBL1115436 0.80 WEE1 (0.47) STAT6CDK4CCND1CCND2CCND3
SCHEMBL1115415 0.79 TNK2 (0.52) ALKTNK2CDK4CCND1CCND2
SCHEMBL1115422 0.77 CDK4 (0.49) STAT6TNK2CDK4CCND1CCND2
SCHEMBL1115453 0.77 LRRK2 (0.53) AXLSTAT6SYKCDK4CCND3

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 claimed
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