SCHEMBL21184408

SCHEMBL21184408

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.61
▸ CDK12 Q9NYV4 18/20 0.61
▸ CCNT1 O60563 12/20 0.61
▸ CCNE1 P24864 12/20 0.61
▸ CDK2 P24941 12/20 0.61
▸ CDK9 P50750 12/20 0.61
▸ CDK7 P50613 12/20 0.57
▸ CCNH P51946 12/20 0.57
▸ MNAT1 P51948 10/20 0.57

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
SCHEMBL21184351 0.88 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24176255 0.85 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184575 0.83 CCNK (0.75) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184572 0.83 CCNK (0.75) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184449 0.81 CCNK (0.59) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184518 0.80 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24176251 0.78 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184583 0.78 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30771935 0.78 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184600 0.78 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2

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
Send feedback