SCHEMBL25299727

SCHEMBL25299727

Nc1nccn2c1nc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.53
MAPK8 P45983 5/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
ADORA1 P30542 4/20 0.49

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
SCHEMBL169235 0.86 MAPK8 (0.54) ADORA2AMAPK8HTR3EHTR3BHTR3A
SCHEMBL31746758 0.86 MAPK8 (0.54) ADORA2AMAPK8HTR3EHTR3BHTR3A
SCHEMBL13131265 0.76 PTPN2 (0.59) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL30578099 0.76 MAPK8 (0.54) ADORA2AMAPK8HTR3EHTR3BHTR3A
SCHEMBL120846 0.76 MAPK8 (0.54) ADORA2AMAPK8HTR3EHTR3BHTR3A
SCHEMBL8110850 0.76 MAPK8 (0.64) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11495421 0.75 RAD51 (0.65) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11417540 0.73 MAPK8 (0.55) ADORA2AMAPK8HTR3EHTR3BHTR3A
SCHEMBL14815430 0.73 KDM4E (0.46) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11490588 0.72 RAD51 (0.67) ADORA2AMAPK8HTR3EHTR3BHTR3A

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
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 claimed
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