SCHEMBL21179236

SCHEMBL21179236

Cc1noc(C)c1-c1cc2[nH]cc(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c2cc1F

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.79
▸ CDK12 Q9NYV4 19/20 0.79
▸ CCNT1 O60563 16/20 0.79
▸ CCNE1 P24864 16/20 0.79
▸ CDK2 P24941 16/20 0.79
▸ CDK9 P50750 16/20 0.79
▸ CDK7 P50613 10/20 0.79
▸ CCNH P51946 10/20 0.79
▸ MNAT1 P51948 5/20 0.62

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
SCHEMBL21179234 1.00 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188457 0.89 CCNK (0.78) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188311 0.88 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188507 0.88 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839438 0.86 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30260913 0.86 CCNK (0.96) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21179121 0.84 CCNK (0.57) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21178503 0.83 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839786 0.81 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184404 0.80 CCNK (0.85) 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 3 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
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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