SCHEMBL27123965

SCHEMBL27123965

CCc1cnc(NC2CCCNC2)nc1-c1n[nH]c2cc(C#N)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 1.00
▸ CDK12 Q9NYV4 15/20 1.00
▸ CCNT1 O60563 12/20 1.00
▸ CCNE1 P24864 12/20 1.00
▸ CDK2 P24941 12/20 1.00
▸ CDK9 P50750 12/20 1.00
▸ CDK7 P50613 12/20 0.74
▸ CCNH P51946 12/20 0.74
▸ MNAT1 P51948 10/20 0.74

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
SCHEMBL24839458 1.00 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839349 0.85 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839699 0.85 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839805 0.85 CCNK (0.78) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25597717 0.80 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30204043 0.80 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839379 0.80 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839697 0.77 CCNK (0.74) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839577 0.77 CCNK (0.76) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30439567 0.77 CCNK (0.76) 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-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
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