SCHEMBL7473528

SCHEMBL7473528

CN1c2cccnc2N(C)c2nc(CNCCNCc3ccc4c(n3)N(C)c3ncccc3N4C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN8A Q9UQD0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.31
NTRK3 Q16288 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8103450 0.95 CHRM2 (0.42) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL7468021 0.95 CHRM2 (0.39) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL7467923 0.93 CHRM2 (0.44) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL8103466 0.88 CHRM2 (0.38) CHRM2SCN8A
SCHEMBL8109283 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL8103219 0.76 ADORA3 (0.39) SMN1; SMN2EPHX2MEN1KMT2A
SCHEMBL7468232 0.73 ADRA2A (0.33) L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL8101449 0.71 MYC (0.40) L3MBTL1SMN1; SMN2EPHX2MEN1KMT2A
SCHEMBL8093773 0.70 CHRM2 (0.33) CHRM2TSHRSCN8A
SCHEMBL8107605 0.69 HRH3 (0.37) KMT2A

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 4 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 claimed
EP-0963986-B1 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-04-17 EP 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
EP-0963986-A2 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-15 EP disclosed