SCHEMBL21188383

SCHEMBL21188383

C[Si](C)(C)CCOCn1cc(-c2nc(N[C@H]3C[C@@H](O)CN(Cc4ccccc4)C3)ncc2C(F)(F)F)c2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.42
▸ CCNH P51946 14/20 0.42
▸ MNAT1 P51948 14/20 0.42
▸ CCNT1 O60563 9/20 0.42
▸ CDK9 P50750 9/20 0.42
▸ CCNK O75909 15/20 0.40
▸ CDK12 Q9NYV4 15/20 0.40
▸ CCNE1 P24864 11/20 0.40
▸ CDK2 P24941 11/20 0.40

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
SCHEMBL21188384 0.89 CCNK (0.41) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184311 0.82 CDK7 (0.50) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184310 0.81 CDK7 (0.43) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21188044 0.79 CCNK (0.58) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24087288 0.78 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21178258 0.77 CCNK (0.51) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21178225 0.76 DGAT1 (0.43) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL29509186 0.76 DGAT1 (0.43) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184299 0.75 CDK7 (0.40) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL26967517 0.74 CDK7 (0.43) CDK7CCNHMNAT1CCNT1CDK9

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-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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