SCHEMBL25857400

SCHEMBL25857400

Nc1nc(CO)cn2c1nc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 1.00
ADORA1 P30542 12/20 0.70
ADORA3 P0DMS8 2/20 0.51
ADORA2B P29275 2/20 0.51

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
SCHEMBL31230597 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL30528249 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25306869 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25308418 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25857595 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25858412 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29904923 0.77 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12165674 0.77 ADORA2A (0.89) ADORA2AADORA1
SCHEMBL10100179 0.76 ADORA2A (0.61) ADORA2AADORA1
SCHEMBL2817532 0.75 ADORA2A (0.69) ADORA2AADORA1

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