SCHEMBL31437751

SCHEMBL31437751

CC(C)=Cc1cc(Br)nn1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 2/20 0.39
HPGDS O60760 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
BTK Q06187 2/20 0.37
CHRNA7 P36544 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 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
SCHEMBL31437795 0.87 GPR119 (0.43) FPR2MAPTHPGD
SCHEMBL31437951 0.86 FPR2 (0.46) FPR2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31437929 0.82 CHRM2 (0.50) PREPJAK2JAK1
SCHEMBL31437964 0.80 FPR2 (0.44) FPR2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL25294568 0.79 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30022049 0.76 KDM5A (0.46) FPR2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31340305 0.75 FPR2 (0.48) FPR2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31010092 0.75 FPR2 (0.48) FPR2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31340230 0.75 FPR2 (0.46) FPR2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30318697 0.75 FPR2 (0.48) FPR2PIK3CDPIK3R2PIK3CAPIK3CB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011533-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-01-16 WO disclosed