SCHEMBL21184308

SCHEMBL21184308

CCCCc1ccc2c(-c3nc(NC4CCC4)ncc3C(F)(F)F)cn(SF)c2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 12/20 0.55
▸ CCNH P51946 12/20 0.55
▸ MNAT1 P51948 12/20 0.55
▸ CCNK O75909 12/20 0.55
▸ CDK12 Q9NYV4 12/20 0.55
▸ CCNT1 O60563 11/20 0.55
▸ CDK9 P50750 11/20 0.55
▸ CCNE1 P24864 9/20 0.55
▸ CDK2 P24941 9/20 0.55
▸ ULK1 O75385 1/20 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
SCHEMBL21184588 0.82 CCNK (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184300 0.77 CCNK (0.59) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184555 0.77 CCNK (0.59) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24839616 0.71 CCNK (1.00) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184570 0.70 CDK7 (0.34) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184593 0.67 CDK7 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184490 0.66 ULK1 (0.63) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25529565 0.64 CCNE1 (0.58) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184589 0.64 CCNK (0.64) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184407 0.64 RORC (0.34) —

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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