SCHEMBL31334547

SCHEMBL31334547

O=C(CBr)N1CCC(Nc2ncc(F)c(-c3cccc(-c4ccccc4)c3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.48
EGFR P00533 1/20 0.45
BTK Q06187 1/20 0.45
CDK2 P24941 7/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
JUN P05412 3/20 0.42
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 2/20 0.42
HDAC1 Q13547 2/20 0.41
ADORA1 P30542 2/20 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
SCHEMBL31334274 0.94 MAPK1 (0.46) MAPK1EGFRBTKCDK2CDK1
SCHEMBL31333189 0.89 MAPK8 (0.52) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31333385 0.89 MAPK8 (0.52) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31334440 0.87 IRAK1 (0.49) MAPK1EGFRBTKCDK2CDK1
SCHEMBL31333426 0.87 MAPK1 (0.44) MAPK1EGFRBTKCDK2CDK1
SCHEMBL31333403 0.86 MAPK1 (0.46) MAPK1CDK2CCNE1JUNMAPK8
SCHEMBL31334224 0.85 MAPK1 (0.49) MAPK1CDK2JUNMAPK8MAPK9
SCHEMBL31334037 0.84 MAPK1 (0.45) MAPK1CDK2CDK1CCNB1CCNE1
SCHEMBL31334719 0.81 ADORA1 (0.47) MAPK1CDK2CDK1CCNB1CCNE1
SCHEMBL31334890 0.81 ADORA1 (0.47) MAPK1CDK2CDK1CCNB1CCNE1

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