SCHEMBL31333403

SCHEMBL31333403

O=C(CBr)N1CCC(Nc2ncc(F)c(-c3cccc(-c4ccc[nH]c4=O)c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.46
CDK2 P24941 6/20 0.41
JUN P05412 6/20 0.41
MAPK8 P45983 6/20 0.41
MAPK9 P45984 6/20 0.41
MAPK10 P53779 4/20 0.41
CCNT1 O60563 1/20 0.41
CCNK O75909 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK9 P50750 1/20 0.41
CDK12 Q9NYV4 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
SCHEMBL31335063 0.87 CDK2 (0.42) MAPK1CDK2CCNT1CCNKCCNE1
SCHEMBL31334553 0.87 CDK2 (0.42) MAPK1CDK2CCNT1CCNKCCNE1
SCHEMBL31334547 0.86 MAPK1 (0.48) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31334274 0.85 MAPK1 (0.46) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31334085 0.84 MAPK10 (0.49) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31333686 0.83 ADORA1 (0.44) MAPK1CDK2JUNMAPK10CCNT1
SCHEMBL31333676 0.83 CCNE1 (0.49) MAPK1CDK2MAPK8CCNT1CCNK
SCHEMBL31334804 0.82 CDK2 (0.43) MAPK1CDK2CCNT1CCNKCCNE1
SCHEMBL31335133 0.82 CCNE1 (0.43) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31333245 0.82 CDK9 (0.46) MAPK1CDK2MAPK8MAPK9MAPK10

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