SCHEMBL25593200

SCHEMBL25593200

COCCN1CCCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 7/20 0.65
▸ CCNH P51946 7/20 0.65
▸ MNAT1 P51948 7/20 0.65
▸ CCNT1 O60563 7/20 0.65
▸ CDK9 P50750 7/20 0.65
▸ CDK2 P24941 6/20 0.65
▸ CCNK O75909 4/20 0.65
▸ CDK12 Q9NYV4 4/20 0.65
▸ CCNE1 P24864 3/20 0.65
▸ JUN P05412 4/20 0.48
▸ MAPK8 P45983 4/20 0.48
▸ MAPK9 P45984 4/20 0.48
▸ MAPK10 P53779 3/20 0.48
▸ EGFR P00533 7/20 0.44

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
SCHEMBL20041226 0.88 CCNT1 (0.61) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL26967533 0.88 CCNT1 (0.61) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL30886762 0.86 CDK2 (0.54) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL16665199 0.84 CDK7 (0.58) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL23152039 0.83 CDK2 (0.52) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL20190356 0.83 CDK2 (0.52) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL16654962 0.82 HTR6 (0.54) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL16654960 0.82 HTR6 (0.54) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL16655047 0.82 HTR6 (0.53) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL16655048 0.82 HTR6 (0.53) CDK7CCNHMNAT1CCNT1CDK9

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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