SCHEMBL23747018

SCHEMBL23747018

C=Cc1cnc(N[C@H]2CCCNC2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNK O75909 12/20 0.58
CDK12 Q9NYV4 12/20 0.58
CCNT1 O60563 11/20 0.58
CDK9 P50750 11/20 0.58
CCNE1 P24864 9/20 0.58
CDK2 P24941 9/20 0.58
CDK7 P50613 13/20 0.49
CCNH P51946 13/20 0.49
MNAT1 P51948 12/20 0.49
MAPK3 P27361 3/20 0.48
MAPK1 P28482 2/20 0.48
SYK P43405 2/20 0.48
KCNH2 Q12809 2/20 0.48
AURKB Q96GD4 2/20 0.48
CRBN Q96SW2 1/20 0.44

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
SCHEMBL25596344 0.80 CCNT1 (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL19462177 0.77 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL23197829 0.77 IDH2 (0.45) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL23003167 0.76 CCNK (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL23003170 0.76 CCNK (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL13693348 0.74 BRD4 (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22895378 0.74 CCNT1 (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL13524818 0.74 BRD4 (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL23002957 0.73 CCNK (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL23002959 0.73 CCNK (0.56) 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-2021158516-A1 IRE1α MODULATORS AND USES THEREOF NIMBUS IASO, INC. (US) 2021-08-12 WO disclosed