SCHEMBL25597463

SCHEMBL25597463

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(C#N)ccc34)n2)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.63
▸ CDK12 Q9NYV4 16/20 0.63
▸ CDK2 P24941 14/20 0.63
▸ CCNE1 P24864 13/20 0.63
▸ CCNT1 O60563 12/20 0.63
▸ CDK9 P50750 12/20 0.63
▸ CDK7 P50613 9/20 0.50
▸ CCNH P51946 9/20 0.50
▸ MNAT1 P51948 7/20 0.50
▸ CCNA2 P20248 1/20 0.47
▸ CDK13 Q14004 1/20 0.47

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
SCHEMBL24588759 1.00 CCNK (0.63) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30204068 1.00 CCNK (0.63) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30203953 0.90 CDK2 (0.49) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21179237 0.89 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21188444 0.88 CCNK (0.54) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL24583204 0.88 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29749443 0.87 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL24583163 0.87 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21188533 0.87 CDK2 (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29083554 0.87 CDK2 (0.53) CCNKCDK12CDK2CCNE1CCNT1

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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