SCHEMBL21178407

SCHEMBL21178407

FC(F)(F)c1cnc(NC2CCCNC2)nc1-c1c[nH]c2cc(-c3ncco3)ccc12

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.79
▸ CDK12 Q9NYV4 18/20 0.79
▸ CCNT1 O60563 13/20 0.79
▸ CCNE1 P24864 13/20 0.79
▸ CDK2 P24941 13/20 0.79
▸ CDK9 P50750 13/20 0.79
▸ CDK7 P50613 11/20 0.74
▸ CCNH P51946 11/20 0.74
▸ MNAT1 P51948 9/20 0.74

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
SCHEMBL21178403 1.00 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839812 0.88 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839790 0.87 CCNT1 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21178595 0.86 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29509399 0.86 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188807 0.86 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839668 0.86 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839818 0.85 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188312 0.85 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839442 0.85 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2

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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