SCHEMBL21184299

SCHEMBL21184299

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cn(COCC[Si](C)(C)C)c3cc(Br)ccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 6/20 0.40
▸ CCNH P51946 6/20 0.40
▸ MNAT1 P51948 6/20 0.40
▸ CCNT1 O60563 5/20 0.40
▸ CDK9 P50750 5/20 0.40
▸ SYK P43405 8/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ DGAT1 O75907 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCNK O75909 4/20 0.34
▸ CCNE1 P24864 4/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CDK12 Q9NYV4 4/20 0.34

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
SCHEMBL24176326 0.90 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184310 0.88 CDK7 (0.43) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21178909 0.88 CDK7 (0.44) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21179220 0.88 CDK7 (0.37) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24176252 0.88 CCNK (0.43) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184297 0.88 CDK7 (0.44) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184414 0.88 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184569 0.87 CDK7 (0.38) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184448 0.85 CDK7 (0.38) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184311 0.84 CDK7 (0.50) 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-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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