SCHEMBL20041226

SCHEMBL20041226

CN1CCCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.61
▸ CDK9 P50750 6/20 0.61
▸ CDK2 P24941 6/20 0.61
▸ CCNK O75909 4/20 0.61
▸ CDK12 Q9NYV4 4/20 0.61
▸ CCNE1 P24864 3/20 0.61
▸ CDK7 P50613 6/20 0.53
▸ CCNH P51946 6/20 0.53
▸ MNAT1 P51948 6/20 0.53
▸ EGFR P00533 7/20 0.47
▸ JUN P05412 4/20 0.46
▸ MAPK8 P45983 4/20 0.46
▸ MAPK9 P45984 4/20 0.46
▸ MAPK10 P53779 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HTR6 P50406 1/20 0.45

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
SCHEMBL26967533 1.00 CCNT1 (0.61) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL16665199 0.89 CDK7 (0.58) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL23152039 0.89 CDK2 (0.52) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL20190356 0.89 CDK2 (0.52) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL25593200 0.88 CDK7 (0.65) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL17141074 0.87 CCNT1 (0.49) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL19605654 0.86 CDK7 (0.53) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL16665131 0.86 CDK7 (0.55) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL16655047 0.86 HTR6 (0.53) CCNT1CDK9CDK2CCNKCDK12
SCHEMBL29613414 0.86 HTR6 (0.53) CCNT1CDK9CDK2CCNKCDK12

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-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
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