SCHEMBL25603077

SCHEMBL25603077

FCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.86
▸ CDK12 Q9NYV4 14/20 0.86
▸ CDK7 P50613 14/20 0.86
▸ CCNH P51946 13/20 0.86
▸ CCNT1 O60563 12/20 0.86
▸ CDK9 P50750 12/20 0.86
▸ MNAT1 P51948 12/20 0.86
▸ CCNE1 P24864 10/20 0.82
▸ CDK2 P24941 10/20 0.82
▸ CRBN Q96SW2 1/20 0.76

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
SCHEMBL24840702 0.93 CCNK (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24839347 0.90 CDK7 (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL30687215 0.90 CDK7 (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24839828 0.90 CDK7 (0.79) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL29613489 0.86 CCNT1 (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL20190945 0.86 CCNT1 (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24839833 0.86 CCNK (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24839342 0.86 CCNT1 (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24839792 0.86 CDK7 (1.00) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL20190942 0.86 CCNT1 (1.00) CCNKCDK12CDK7CCNHCCNT1

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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