SCHEMBL21184449

SCHEMBL21184449

Cc1ccc2c(-c3nc(NC4Cc5ccccc5C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.59
▸ CDK12 Q9NYV4 17/20 0.59
▸ CDK7 P50613 15/20 0.59
▸ CCNH P51946 15/20 0.59
▸ CCNE1 P24864 12/20 0.59
▸ CDK2 P24941 12/20 0.59
▸ CCNT1 O60563 11/20 0.59
▸ CDK9 P50750 11/20 0.59
▸ MNAT1 P51948 11/20 0.59

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
SCHEMBL21184304 0.88 CCNK (0.73) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL21184408 0.81 CCNK (0.61) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL21184589 0.76 CCNK (0.64) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL21184348 0.76 CCNK (0.85) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL30554768 0.76 CCNK (0.44) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL21629046 0.76 CCNK (0.44) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL29488127 0.76 CLK1 (0.52) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL25602821 0.75 CCNE1 (0.72) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL21179226 0.75 CCNK (0.65) CCNKCDK12CDK7CCNHCCNE1
SCHEMBL25329327 0.74 CDK7 (0.89) CCNKCDK12CDK7CCNHCCNE1

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
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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