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SCHEMBL18288772

SCHEMBL18288772

CCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)n3)ccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 1.00
▸ CDK1 P06493 12/20 1.00
▸ CCNE1 P24864 6/20 1.00
▸ CCNB1 P14635 5/20 1.00
▸ CDK2 P24941 14/20 0.83
▸ CDK6 Q00534 14/20 0.83
▸ CDK7 P50613 7/20 0.83
▸ CDK9 P50750 7/20 0.83
▸ CDK5 Q00535 7/20 0.83
▸ CCNA2 P20248 3/20 0.83
▸ CCND3 P30281 3/20 0.83

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
SCHEMBL18288852 0.99 CDK4 (1.00) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18288909 0.98 CDK4 (1.00) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18288515 0.92 CDK4 (0.85) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18288801 0.91 CDK4 (0.84) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18289323 0.91 CDK4 (1.00) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18288951 0.91 CDK4 (0.83) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL19088968 0.91 CDK4 (1.00) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL19088985 0.90 CDK4 (1.00) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18288763 0.89 CDK4 (0.83) CDK4CDK1CCNE1CCNB1CDK2
SCHEMBL18288883 0.89 CDK4 (0.83) CDK4CDK1CCNE1CCNB1CDK2

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-2016192630-A1 COMPOUND HAVING KINASE INHIBITING ACTIVITY, METHOD OF PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed