SCHEMBL25598680

SCHEMBL25598680

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

nearest known ligand 0.60

Predicted protein targets (top 16)

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 7/20 0.50
▸ CCNH P51946 7/20 0.50
▸ MNAT1 P51948 5/20 0.50
▸ CLK1 P49759 8/20 0.49
▸ CDK5 Q00535 4/20 0.49
▸ CDK5R1 Q15078 4/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL25598658 0.87 CCNT1 (0.60) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24839463 0.76 CCNK (1.00) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL4925137 0.71 DYRK1A (0.57) CDK2CLK1CDK5CDK5R1
SCHEMBL25029052 0.71 MEN1 (0.44) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24839617 0.67 CLK1 (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30480922 0.65 CLK1 (0.76) CLK1CDK5CDK5R1MEN1KMT2A
SCHEMBL23059871 0.64 CCNT1 (0.57) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL31049314 0.64 NR3C1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30268103 0.64 ADORA1 (0.53) GAA
SCHEMBL29364536 0.64 ADRB3 (0.37) 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 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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