SCHEMBL8093773

SCHEMBL8093773

CN1c2ncccc2N(C)c2c(CNCCCNCc3ccnc4c3N(C)c3cccnc3N4C)ccnc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
TYMS P04818 1/20 0.30
HTR5A P47898 1/20 0.30
SCN8A Q9UQD0 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
SCHEMBL8101364 0.77 KDM4E (0.40) KDM4E
SCHEMBL7468021 0.76 CHRM2 (0.39) CHRM2TSHRSCN8A
SCHEMBL8103450 0.74 CHRM2 (0.42) CHRM2TSHRSCN8A
SCHEMBL7467923 0.73 CHRM2 (0.44) CHRM2TSHRSCN8A
SCHEMBL8101368 0.72 TRIM24 (0.39) KDM4E
SCHEMBL8103219 0.71 ADORA3 (0.39)
SCHEMBL7473528 0.70 CHRM2 (0.35) CHRM2TSHRSCN8A
SCHEMBL8093553 0.70 ADORA3 (0.31)
SCHEMBL8101449 0.69 MYC (0.40)
SCHEMBL8093555 0.69 GRM5 (0.33)

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 disclosed