SCHEMBL30765772

SCHEMBL30765772

CCOC(=O)Cn1c(-c2ccccc2)nc(C)c(Br)c1=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL31750690 0.80 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL31751390 0.76 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL30766069 0.75 KDM4E (0.46) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL4138763 0.74 CASR (0.63) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL10386808 0.72 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL29951529 0.72 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL1987381 0.72 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL7296961 0.71 MEN1 (0.66) CYP1A2CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL30765447 0.71 L3MBTL1 (0.65) CYP1A2CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL28287010 0.70 KDM4E (0.78) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR

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-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed