SCHEMBL21184300

SCHEMBL21184300

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CCCC4)ncc3C(F)(F)F)cn(SF)c2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.59
▸ CDK12 Q9NYV4 15/20 0.59
▸ CCNT1 O60563 11/20 0.59
▸ CDK9 P50750 11/20 0.59
▸ CCNE1 P24864 11/20 0.59
▸ CDK2 P24941 11/20 0.59
▸ CDK7 P50613 9/20 0.59
▸ CCNH P51946 9/20 0.59
▸ MNAT1 P51948 6/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42

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
SCHEMBL21184423 0.83 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184588 0.82 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184555 0.81 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184404 0.79 CCNK (0.85) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184308 0.77 CDK7 (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260913 0.75 CCNK (0.96) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184430 0.74 CCNK (0.85) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21188311 0.74 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21188507 0.74 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30853845 0.74 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1

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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