SCHEMBL22997828

SCHEMBL22997828

CC1CNCCC1Nc1ncc(C(F)(F)F)c(-c2c[nH]cn2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.53
▸ CDK12 Q9NYV4 15/20 0.53
▸ CCNT1 O60563 14/20 0.53
▸ CDK9 P50750 14/20 0.53
▸ CCNE1 P24864 12/20 0.53
▸ CDK2 P24941 12/20 0.53
▸ CDK7 P50613 10/20 0.53
▸ CCNH P51946 10/20 0.53
▸ MNAT1 P51948 10/20 0.53

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
SCHEMBL22977406 1.00 CCNK (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22977457 0.89 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22997812 0.89 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22977485 0.83 ULK1 (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31666811 0.81 CCNK (0.61) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31666705 0.81 CCNK (0.61) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22997838 0.80 CCNE1 (0.41) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22977388 0.78 CCNE1 (0.40) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22977318 0.78 CCNE1 (0.54) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997740 0.78 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1

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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