SCHEMBL21179168

SCHEMBL21179168

COC1CCNCC1Nc1ncc(C(F)(F)F)c(-c2cn(S(=O)(=O)c3ccccc3)c3cc(-c4c(C)noc4C)ccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 11/20 0.50
▸ CCNH P51946 11/20 0.50
▸ CCNK O75909 10/20 0.50
▸ CDK12 Q9NYV4 10/20 0.50
▸ CCNT1 O60563 9/20 0.50
▸ CDK9 P50750 9/20 0.50
▸ CCNE1 P24864 8/20 0.50
▸ CDK2 P24941 8/20 0.50
▸ BRD4 O60885 5/20 0.43
▸ MNAT1 P51948 7/20 0.41
▸ EGFR P00533 1/20 0.37

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
SCHEMBL24176332 0.85 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL29509294 0.85 BRD4 (0.40) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24087376 0.83 CCNK (0.51) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL21188556 0.81 CCNK (0.75) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24176284 0.80 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL21188147 0.75 CCNK (0.74) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL30771954 0.75 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24176433 0.74 CCNT1 (0.54) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL29509247 0.74 CCNK (0.40) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24176336 0.74 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNT1

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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