SCHEMBL8103450

SCHEMBL8103450

CN1c2cccnc2N(C)c2nc(CNCCCCNCc3ccc4c(n3)N(C)c3ncccc3N4C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.42
SCN8A Q9UQD0 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CXCR4 P61073 1/20 0.32
S1PR3 Q99500 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
SCHEMBL7467923 0.99 CHRM2 (0.44) CHRM2SCN8AALDH1A1ALOX15TSHR
SCHEMBL7468021 0.97 CHRM2 (0.39) CHRM2SCN8AALDH1A1ALOX15TSHR
SCHEMBL7473528 0.95 CHRM2 (0.35) CHRM2SCN8AALDH1A1ALOX15TSHR
SCHEMBL8103466 0.91 CHRM2 (0.38) CHRM2SCN8A
SCHEMBL8109283 0.82 MEN1 (0.31)
SCHEMBL8103219 0.74 ADORA3 (0.39)
SCHEMBL8093773 0.74 CHRM2 (0.33) CHRM2SCN8ATSHR
SCHEMBL7468232 0.71 ADRA2A (0.33) L3MBTL1
SCHEMBL8107605 0.69 HRH3 (0.37)
SCHEMBL8101449 0.69 MYC (0.40) L3MBTL1

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
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