SCHEMBL21184617

SCHEMBL21184617

Cc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(-c4c(C)noc4C)ccc23)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.66
▸ CDK12 Q9NYV4 14/20 0.66
▸ CCNE1 P24864 13/20 0.66
▸ CDK2 P24941 13/20 0.66
▸ CCNT1 O60563 12/20 0.66
▸ CDK9 P50750 12/20 0.66
▸ CDK7 P50613 6/20 0.66
▸ CCNH P51946 6/20 0.66
▸ MNAT1 P51948 3/20 0.45
▸ BRD4 O60885 4/20 0.45
▸ CREBBP Q92793 1/20 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
SCHEMBL21184546 0.90 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184404 0.84 CCNK (0.85) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176255 0.82 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184518 0.81 CCNK (0.73) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188311 0.80 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188507 0.80 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176439 0.80 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184521 0.80 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176432 0.80 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188585 0.80 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1

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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