SCHEMBL31304366

SCHEMBL31304366

CC(C)(C)OC(=O)N1CCC(Nc2cccc(Br)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NOS2 P35228 1/20 0.49
CCNT1 O60563 1/20 0.49
PRMT5 O14744 1/20 0.49
IDH1 O75874 1/20 0.48
IDH2 P48735 1/20 0.48
JAK1 P23458 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
PARP1 P09874 2/20 0.47
USP30 Q70CQ3 1/20 0.47
BTK Q06187 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL24231618 1.00 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31304369 1.00 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31304243 0.93 USP30 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL25285911 0.93 USP30 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31304479 0.93 USP30 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16136237 0.87 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31304186 0.87 USP30 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23361817 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL25399223 0.85 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30170848 0.85 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT

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-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 EP disclosed
WO-2024254490-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE ACRIVON THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed