SCHEMBL30771935

SCHEMBL30771935

CCN[C@H]1CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(C#N)ccc23)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.72
▸ CDK12 Q9NYV4 15/20 0.72
▸ CCNT1 O60563 8/20 0.72
▸ CCNE1 P24864 8/20 0.72
▸ CDK2 P24941 8/20 0.72
▸ CDK9 P50750 8/20 0.72
▸ CDK7 P50613 14/20 0.71
▸ CCNH P51946 14/20 0.71
▸ MNAT1 P51948 13/20 0.71

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
SCHEMBL21184583 1.00 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184622 0.97 CCNK (0.70) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184345 0.90 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184354 0.90 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184351 0.88 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184347 0.87 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184444 0.87 CCNK (0.70) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184350 0.87 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184447 0.86 CCNK (0.66) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184348 0.85 CCNK (0.85) 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-3740206-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2024-03-06 — — EP disclosed
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