SCHEMBL8103221

SCHEMBL8103221

c1cnc2c(c1)Nc1cccnc1N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
AKT1 P31749 1/20 0.37
OTUD7B Q6GQQ9 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
ALOX15 P16050 2/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL7476995 0.92 SMN1; SMN2 (0.55) GSK3BSMN1; SMN2CYP1A2MAPTGAA
SCHEMBL7102226 0.92
SCHEMBL15326919 0.85 GSK3B (0.47) GSK3BSMN1; SMN2CYP1A2MAPTGAA
SCHEMBL5178865 0.80 CYP1A2 (0.80) GSK3BSMN1; SMN2CYP1A2MAPTGAA
SCHEMBL9793307 0.78 CYP1A2 (0.67) GSK3BSMN1; SMN2CYP1A2MAPTGAA
SCHEMBL4606296 0.77 ALOX15 (0.42) GSK3BSMN1; SMN2CYP1A2GAAALOX15
SCHEMBL2420515 0.74 CYP1A2 (0.77) GSK3BSMN1; SMN2CYP1A2MAPTGAA
SCHEMBL2511237 0.74 CYP1A2 (0.53) GSK3BSMN1; SMN2CYP1A2AKT1ALDH1A1
SCHEMBL626994 0.72 GSK3B (0.49) GSK3BSMN1; SMN2CYP1A2MAPTGAA
SCHEMBL3835689 0.72 CYP1A2 (0.47) GSK3BSMN1; SMN2CYP1A2MAPTGAA

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
US-6127369-A 5,10-dihydrodipyrido[2,3-b:2,3-e]pyrazin and 5,10-dihydrodipyrido[2,3-b:3,2-e]pyrazin compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed
JP-2000007674-A NOVEL 5,10-DIHYDRODIPYRIDO-[2,3-B:2,3-E]PYRAZINE COMPOUND, 5,10-DIHYDRODIPYRIDO-[2,3-B:3,2-E]PYRAZINE COMPOUND, THEIR PRODUCTION, AND ANTITUMOR AGENT CONTAINING THEM ADIR 2000-01-11 JP disclosed