SCHEMBL25602184

SCHEMBL25602184

CSc1ccc2c(-c3nc(NC4CCCN(C5CC5)C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.76
▸ CDK12 Q9NYV4 18/20 0.76
▸ CDK7 P50613 10/20 0.76
▸ CCNH P51946 10/20 0.76
▸ MNAT1 P51948 8/20 0.76
▸ CCNE1 P24864 15/20 0.60
▸ CDK2 P24941 15/20 0.60
▸ CCNT1 O60563 14/20 0.60
▸ CDK9 P50750 14/20 0.60

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
SCHEMBL25601005 0.91 CDK7 (0.75) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24840689 0.86 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595034 0.84 CDK7 (0.58) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595007 0.84 CCNK (0.82) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839870 0.77 CDK7 (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204504 0.77 CCNK (0.65) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839710 0.75 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184589 0.75 CCNK (0.64) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839835 0.75 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24840685 0.75 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1

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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