SCHEMBL19209841

SCHEMBL19209841

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.Cc1nc2ncc(-c3nc(Nc4ccc(CN5CCN6CCC[C@H]6C5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 15/20 0.49
CDK4 P11802 12/20 0.49
CCND3 P30281 6/20 0.49
CCND1 P24385 6/20 0.49
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CDK1 P06493 3/20 0.49
DYRK2 Q92630 3/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
DYRK3 O43781 1/20 0.49
CCNT1 O60563 1/20 0.49
STK16 O75716 1/20 0.49
CCNK O75909 1/20 0.49
STK10 O94804 1/20 0.49
PRKD3 O94806 1/20 0.49
ABCB11 O95342 1/20 0.49
MAP4K4 O95819 1/20 0.49
CCNE2 O96020 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL19209865 0.88 CDK6 (0.61) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19209873 0.88 CDK6 (0.61) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19209793 0.78 CDK6 (0.64) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19231755 0.78 CDK6 (0.61) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19231761 0.76 CDK6 (0.63) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19209863 0.76 CDK6 (0.70) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19209867 0.76 CDK6 (0.80) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19231757 0.75 CDK4 (0.63) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL19231760 0.75 CDK6 (0.62) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL2492198 0.75 CDK4 (0.76) CDK6CDK4CCND3CCND1CCNA2

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
WO-2017133701-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 WO disclosed