SCHEMBL21178456

SCHEMBL21178456

CC1(C)CC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C(Br)OCC[Si](C)(C)C)ccc34)n2)CN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.57
▸ CCNH P51946 14/20 0.57
▸ MNAT1 P51948 12/20 0.57
▸ CCNK O75909 17/20 0.48
▸ CDK12 Q9NYV4 17/20 0.48
▸ CCNT1 O60563 12/20 0.48
▸ CCNE1 P24864 12/20 0.48
▸ CDK2 P24941 12/20 0.48
▸ CDK9 P50750 12/20 0.48

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
SCHEMBL21178522 0.89 CDK7 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178258 0.89 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178413 0.85 CDK7 (0.66) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178204 0.79 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076267 0.76 CCNK (0.55) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076266 0.76 CCNK (0.55) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29584896 0.76 CCNK (0.55) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24087288 0.73 CDK7 (0.42) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178785 0.73 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076293 0.73 CDK7 (0.70) CDK7CCNHMNAT1CCNKCDK12

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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