SCHEMBL21184444

SCHEMBL21184444

N#Cc1ccc2c(-c3nc(N[C@H]4CCC[C@@H]4NCCO)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.70
▸ CDK12 Q9NYV4 17/20 0.70
▸ CDK7 P50613 12/20 0.70
▸ CCNH P51946 12/20 0.70
▸ MNAT1 P51948 11/20 0.70
▸ CCNT1 O60563 8/20 0.69
▸ CCNE1 P24864 8/20 0.69
▸ CDK2 P24941 8/20 0.69
▸ CDK9 P50750 8/20 0.69

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
SCHEMBL21184622 0.90 CCNK (0.70) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184447 0.90 CCNK (0.66) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184575 0.87 CCNK (0.75) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30771935 0.87 CCNK (0.72) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184583 0.87 CCNK (0.72) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184354 0.87 CCNK (0.68) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184345 0.87 CCNK (0.68) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184348 0.86 CCNK (0.85) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184494 0.86 CCNK (0.70) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184572 0.85 CCNK (0.75) CCNKCDK12CDK7CCNHMNAT1

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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