SCHEMBL31334804

SCHEMBL31334804

NC(=O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(-c4ccc[nH]c4=O)c3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
CCNK O75909 3/20 0.43
CDK9 P50750 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
CCNT1 O60563 2/20 0.43
CCNE1 P24864 2/20 0.43
ADORA1 P30542 5/20 0.42
ADORA2A P29274 3/20 0.40
ADORA2B P29275 1/20 0.40
MAPK1 P28482 4/20 0.40
MAP4K1 Q92918 1/20 0.39
MAPK3 P27361 3/20 0.38
MAPK6 Q16659 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CCNA2 P20248 1/20 0.36
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL31334122 1.00 CDK2 (0.43) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31334562 0.96 CDK2 (0.42) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31333686 0.92 ADORA1 (0.44) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31334366 0.91 CCNT1 (0.45) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31334625 0.91 CCNT1 (0.45) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31334899 0.90 CCNT1 (0.43) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31333245 0.89 CDK9 (0.46) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31335133 0.88 CCNE1 (0.43) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31334085 0.88 MAPK10 (0.49) CDK2CCNKCDK9CDK12CCNT1
SCHEMBL31333676 0.86 CCNE1 (0.49) CDK2CCNKCDK9CDK12CCNT1

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