SCHEMBL25598658

SCHEMBL25598658

CCc1cnc(Cl)nc1-c1c[nH]c2c(S(C)(=O)=O)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.60
▸ CCNK O75909 6/20 0.60
▸ CCNE1 P24864 6/20 0.60
▸ CDK2 P24941 6/20 0.60
▸ CDK9 P50750 6/20 0.60
▸ CDK12 Q9NYV4 6/20 0.60
▸ CDK7 P50613 8/20 0.50
▸ CCNH P51946 8/20 0.50
▸ MNAT1 P51948 6/20 0.50
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RPS6KA5 O75582 1/20 0.40
▸ JAK1 P23458 4/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ AR P10275 1/20 0.37

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
SCHEMBL25598680 0.87 CCNT1 (0.60) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL15648351 0.77 CDK2 (0.55) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24839463 0.76 CCNK (1.00) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL8943361 0.69 JAK2 (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900582 0.69 RPS6KA5 (0.60) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30007128 0.68 CCNT1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL28817278 0.68 CCNT1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900631 0.67 RPS6KA5 (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30957452 0.67 RPS6KA5 (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900677 0.67 CCNT1 (0.55) CCNT1CCNKCCNE1CDK2CDK9

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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