SCHEMBL25857417

SCHEMBL25857417

C=Cc1cn2c(nc3ccccc32)c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.46
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
ADORA2A P29274 6/20 0.38
ADORA1 P30542 5/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ACSS2 Q9NR19 1/20 0.37

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
SCHEMBL25308682 0.90 BRD4 (0.46) BRD4OPRM1OPRD1OGFRL1GAA
SCHEMBL29435907 0.90 BRD4 (0.46) BRD4OPRM1OPRD1OGFRL1GAA
SCHEMBL25858482 0.83 BRD4 (0.48) BRD4OPRM1OPRD1OGFRL1GAA
SCHEMBL25261543 0.83 BRD4 (0.47) BRD4OPRM1OPRD1OGFRL1GAA
SCHEMBL29435895 0.82 ADORA2A (0.52) BRD4OPRM1OPRD1OGFRL1ADORA2A
SCHEMBL25307292 0.82 ADORA2A (0.52) BRD4OPRM1OPRD1OGFRL1ADORA2A
SCHEMBL30473266 0.78 BRD4 (0.48) BRD4OPRM1OPRD1OGFRL1GAA
SCHEMBL25388991 0.73 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL29435912 0.73 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL7969276 0.68 LCK (0.40) BRD4OPRM1OPRD1OGFRL1GAA

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-2023130701-A1 1-AMINOBENZO[4,5]IMIDAZO[1,2-A]PYRAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION THEREFOR AND USE THEREOF 中山大学 2023-07-13 WO disclosed