SCHEMBL21184621

SCHEMBL21184621

Cc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(-c4nccs4)ccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.63
▸ CDK12 Q9NYV4 18/20 0.63
▸ CCNE1 P24864 17/20 0.63
▸ CDK2 P24941 17/20 0.63
▸ CCNT1 O60563 16/20 0.63
▸ CDK9 P50750 16/20 0.63
▸ CDK7 P50613 5/20 0.44
▸ CCNH P51946 5/20 0.44
▸ MNAT1 P51948 4/20 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
SCHEMBL25603912 0.82 CCNE1 (0.60) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184552 0.81 CCNK (0.86) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188312 0.78 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176251 0.78 CCNK (0.73) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188326 0.78 CCNK (0.75) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188590 0.78 CCNK (0.75) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839623 0.77 CCNK (0.65) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184617 0.77 CCNK (0.66) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188808 0.77 CCNK (0.76) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188586 0.77 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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