SCHEMBL30260822

SCHEMBL30260822

N#Cc1cnc(N[C@H]2CCCCNC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.78
▸ CDK12 Q9NYV4 14/20 0.78
▸ CCNT1 O60563 13/20 0.78
▸ CDK9 P50750 13/20 0.78
▸ CCNE1 P24864 11/20 0.78
▸ CDK2 P24941 11/20 0.78
▸ CDK7 P50613 13/20 0.70
▸ CCNH P51946 12/20 0.70
▸ MNAT1 P51948 11/20 0.70
▸ CRBN Q96SW2 1/20 0.70

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
SCHEMBL24839845 0.97 CCNK (0.83) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21549428 0.90 CCNK (0.66) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839784 0.88 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260874 0.83 CCNK (0.94) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17150599 0.83 CCNT1 (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839833 0.83 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839792 0.83 CDK7 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL20190945 0.83 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839342 0.83 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29613489 0.83 CCNT1 (1.00) 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-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
Send feedback