SCHEMBL31333763

SCHEMBL31333763

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(C4CC4)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.47
CDK7 P50613 2/20 0.47
CCNK O75909 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
CCNT1 O60563 3/20 0.44
MAPK8 P45983 5/20 0.44
MAPK10 P53779 5/20 0.44
MAPK9 P45984 4/20 0.44
MAPK14 Q16539 4/20 0.44
FLT3 P36888 1/20 0.43
MERTK Q12866 4/20 0.42
ADORA1 P30542 4/20 0.41
ADORA2A P29274 2/20 0.41
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39

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
SCHEMBL31333951 0.89 ADORA1 (0.41) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333944 0.89 ADORA1 (0.49) CDK9CDK7CCNKCDK12CCNT1
SCHEMBL31333856 0.87 CDK9 (0.50) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334046 0.87 CDK9 (0.50) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333197 0.86 MAPK3 (0.41) ADORA1ADORA2ACCNB2CCNE2CDK1
SCHEMBL31333233 0.85 NPC1 (0.43) ADORA1ADORA2ACCNB2CCNE2CDK1
SCHEMBL31334783 0.84 MAPK8 (0.45) MAPK8MAPK10MAPK9MAPK14ADORA1
SCHEMBL31333646 0.80 CDK9 (0.46) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333445 0.80 MAPK1 (0.47) MERTKADORA1ADORA2ACCNB2CCNE2
SCHEMBL31334200 0.76 ADORA1 (0.61) MAPK8MAPK10MAPK9MAPK14FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed