SCHEMBL31333944

SCHEMBL31333944

Fc1cnc(NC2CCCCC2)nc1-c1cccc(C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.49
BCL6 P41182 1/20 0.41
MAPK8 P45983 3/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
ADORA2A P29274 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CTSC P53634 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
CCNT1 O60563 1/20 0.41

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
SCHEMBL31333763 0.89 CDK9 (0.47) ADORA1MAPK8CCNE1CDK2CDK7
SCHEMBL31333951 0.89 ADORA1 (0.41) ADORA1CCNE1CDK2CDK7CDK9
SCHEMBL31333233 0.85 NPC1 (0.43) ADORA1CCNE1CDK2ADORA2ACCNB2
SCHEMBL31333197 0.84 MAPK3 (0.41) ADORA1CCNE1CDK2ADORA2ACCNB2
SCHEMBL31334783 0.84 MAPK8 (0.45) ADORA1MAPK8CCNE1CDK2ADORA2A
SCHEMBL31333828 0.82 MAPK3 (0.43) ADORA1CCNE1CDK2CDK7CDK9
SCHEMBL31333561 0.82 MAPK3 (0.43) ADORA1CCNE1CDK2CDK7CDK9
SCHEMBL31334771 0.82 SYK (0.42) ADORA1MAPK8CCNE1CDK2CDK7
SCHEMBL19078915 0.76 NOTUM (0.37) KMT2AKDM4E
SCHEMBL30919870 0.76 NOTUM (0.37) KMT2AKDM4E

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