SCHEMBL30858873

SCHEMBL30858873

N#Cc1cc(Br)c2cn[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.56
NOS1 P29475 3/20 0.46
AXL P30530 1/20 0.46
HTT P42858 1/20 0.44
IDO1 P14902 5/20 0.43
TDO2 P48775 1/20 0.43
PTPN6 P29350 1/20 0.43
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
METTL3 Q86U44 1/20 0.37
MAPK10 P53779 2/20 0.37
RIPK1 Q13546 2/20 0.37
DYRK1A Q13627 2/20 0.34
CSNK2A1 P68400 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL2009063 1.00 METAP2 (0.56) METAP2NOS1AXLHTTIDO1
SCHEMBL18714303 0.80 METAP2 (0.58) METAP2IDO1TDO2CYP1A2METTL3
SCHEMBL30860846 0.79 METAP2 (0.56) METAP2HTTIDO1TDO2MEN1
SCHEMBL27228209 0.79 METAP2 (0.56) METAP2HTTIDO1TDO2MEN1
SCHEMBL31200266 0.79 METAP2 (0.56) METAP2AXLIDO1TDO2CYP1A2
SCHEMBL24455088 0.79 METAP2 (0.56) METAP2IDO1TDO2CYP1A2METTL3
SCHEMBL2007139 0.76 IDO1 (0.59) METAP2NOS1AXLIDO1TDO2
SCHEMBL29793841 0.76 IDO1 (0.59) METAP2NOS1AXLIDO1TDO2
SCHEMBL17875686 0.75 TDO2 (0.66) METAP2NOS1AXLIDO1TDO2
SCHEMBL27228483 0.72 NOS1 (0.53) METAP2NOS1IDO1TDO2CYP1A2

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-4581024-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS Jazz Pharmaceuticals Ireland Limited (IE) 2025-07-09 EP disclosed
WO-2024047135-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-03-07 WO disclosed