SCHEMBL25858482

SCHEMBL25858482

C=C(O)c1cn2c(nc3ccccc32)c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.48
ADORA2A P29274 11/20 0.45
ADORA1 P30542 11/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25261543 0.91 BRD4 (0.47) BRD4ADORA2AADORA1OPRM1OPRD1
SCHEMBL25857417 0.83 BRD4 (0.46) BRD4ADORA2AADORA1OPRM1OPRD1
SCHEMBL25307292 0.82 ADORA2A (0.52) BRD4ADORA2AADORA1OPRM1OPRD1
SCHEMBL29435907 0.82 BRD4 (0.46) BRD4ADORA2AADORA1OPRM1OPRD1
SCHEMBL25308682 0.82 BRD4 (0.46) BRD4ADORA2AADORA1OPRM1OPRD1
SCHEMBL29435895 0.82 ADORA2A (0.52) BRD4ADORA2AADORA1OPRM1OPRD1
SCHEMBL25388991 0.79 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL29435912 0.79 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL30473266 0.78 BRD4 (0.48) BRD4OPRM1OPRD1OGFRL1MEN1
SCHEMBL8861190 0.70 OPRM1 (0.58) BRD4ADORA1OPRM1OPRD1OGFRL1

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