SCHEMBL21178798

SCHEMBL21178798

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CN(C(=O)O)CCC4C)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.63
▸ CDK12 Q9NYV4 17/20 0.63
▸ CCNE1 P24864 13/20 0.63
▸ CDK2 P24941 13/20 0.63
▸ CDK7 P50613 12/20 0.63
▸ CCNH P51946 12/20 0.63
▸ CCNT1 O60563 10/20 0.63
▸ CDK9 P50750 10/20 0.63
▸ MNAT1 P51948 9/20 0.48

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
SCHEMBL24087465 0.92 CCNK (0.60) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL29509301 0.92 CCNK (0.60) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21178561 0.87 CCNK (0.67) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21188585 0.84 CCNK (0.78) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL27163742 0.84 CCNK (0.63) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21184402 0.83 CCNK (0.66) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24176255 0.82 CCNK (0.72) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21184356 0.82 CCNK (0.70) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24087440 0.81 CCNK (0.63) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL29509237 0.81 CCNK (0.63) CCNKCDK12CCNE1CDK2CDK7

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-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 — — EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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