SCHEMBL22997681

SCHEMBL22997681

CC1CN(S(=O)(=O)c2cn(C)cn2)CCC1Nc1ncc(C(F)(F)F)c(-c2cn(-c3cccc(C#N)c3Cl)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 11/20 0.47
▸ CDK2 P24941 11/20 0.47
▸ CDK1 P06493 9/20 0.47
▸ CDK4 P11802 9/20 0.47
▸ CCNB1 P14635 9/20 0.47
▸ CCND1 P24385 9/20 0.47
▸ CCND3 P30281 9/20 0.47
▸ CDK6 Q00534 9/20 0.47
▸ CDK7 P50613 7/20 0.47
▸ CCNH P51946 7/20 0.47
▸ MNAT1 P51948 7/20 0.47
▸ CCNT1 O60563 6/20 0.47
▸ CDK9 P50750 6/20 0.47
▸ SLC6A9 P48067 7/20 0.38

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
SCHEMBL22977382 1.00 CCNE1 (0.47) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL22977445 0.86 CCNE1 (0.48) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL22997830 0.86 CCNE1 (0.48) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL22976937 0.84 CCNE1 (0.47) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL22977299 0.82 CCNE1 (0.57) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL22976919 0.81 CCNE1 (0.58) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL27213111 0.80 CCNE1 (0.50) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL30906829 0.80 CCNE1 (0.50) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL23001282 0.79 CDK7 (0.39) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL27213121 0.79 CCNE1 (0.48) CCNE1CDK2CDK1CDK4CCNB1

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-2021030537-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION (US) 2021-02-18 — — WO disclosed
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