SCHEMBL25602841

SCHEMBL25602841

NC1CCC(Nc2ncc(C(F)(F)F)c(-c3n[nH]c4ccccc34)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.72
▸ CDK12 Q9NYV4 16/20 0.72
▸ CCNT1 O60563 14/20 0.72
▸ CCNE1 P24864 14/20 0.72
▸ CDK2 P24941 14/20 0.72
▸ CDK9 P50750 14/20 0.72
▸ CDK7 P50613 11/20 0.54
▸ CCNH P51946 11/20 0.54
▸ MNAT1 P51948 10/20 0.54
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50

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
SCHEMBL17696352 0.88 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25602843 0.86 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839344 0.84 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25602821 0.83 CCNE1 (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL17696323 0.81 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL23059810 0.79 CCNK (0.62) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30456603 0.77 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21549446 0.73 CCNK (0.58) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL19100425 0.73 CCNK (0.54) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL19600368 0.73 CCNK (0.58) CCNKCDK12CCNT1CCNE1CDK2

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-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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