SCHEMBL25597717

SCHEMBL25597717

CCc1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ncccc12

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.79
▸ CDK12 Q9NYV4 15/20 0.79
▸ CCNT1 O60563 13/20 0.79
▸ CDK9 P50750 13/20 0.79
▸ CCNE1 P24864 12/20 0.79
▸ CDK2 P24941 12/20 0.79
▸ CDK7 P50613 10/20 0.79
▸ CCNH P51946 10/20 0.79
▸ MNAT1 P51948 10/20 0.79

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
SCHEMBL24839379 1.00 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30204043 1.00 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839349 0.88 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839577 0.85 CCNK (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30439567 0.85 CCNK (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839699 0.84 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839805 0.84 CCNK (0.78) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL27123965 0.80 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839458 0.80 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839347 0.80 CDK7 (1.00) CCNKCDK12CCNT1CDK9CCNE1

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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