SCHEMBL30716188

SCHEMBL30716188

CC1(C)CC[C@H](Nc2ncc(Br)c(-c3c[nH]c4c(Br)c(C#N)ccc34)n2)CN1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.63
▸ CDK12 Q9NYV4 16/20 0.63
▸ CCNT1 O60563 14/20 0.63
▸ CDK9 P50750 14/20 0.63
▸ CCNE1 P24864 13/20 0.63
▸ CDK2 P24941 13/20 0.63
▸ CDK7 P50613 12/20 0.63
▸ CCNH P51946 12/20 0.63
▸ MNAT1 P51948 8/20 0.63
▸ CYP2D6 P10635 1/20 0.63

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
SCHEMBL26696858 1.00 CCNK (0.63) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076294 0.90 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076296 0.90 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26696965 0.84 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30716342 0.84 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26696963 0.84 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL28817296 0.83 CCNK (0.78) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL28817298 0.83 CCNK (0.78) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597569 0.79 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25593057 0.78 CCNK (0.76) CCNKCDK12CCNT1CDK9CCNE1

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-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 — — WO disclosed
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