SCHEMBL30439453

SCHEMBL30439453

CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(S(C)(=O)=O)c(C#N)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 1.00
▸ CDK12 Q9NYV4 14/20 1.00
▸ CCNT1 O60563 13/20 1.00
▸ CCNE1 P24864 13/20 1.00
▸ CDK2 P24941 13/20 1.00
▸ CDK9 P50750 13/20 1.00
▸ CDK7 P50613 10/20 1.00
▸ CCNH P51946 10/20 1.00
▸ MNAT1 P51948 8/20 0.90

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
SCHEMBL24839387 1.00 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839871 0.95 CDK7 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839831 0.91 CCNT1 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30439241 0.91 CCNT1 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839783 0.89 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25269562 0.88 CDK7 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839463 0.83 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839697 0.81 CCNK (0.74) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839455 0.80 CDK7 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839557 0.79 CCNK (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
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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