SCHEMBL8103161

SCHEMBL8103161

CN1c2ncccc2N(C)c2c(C(O)c3ccccc3)ccnc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
MYC P01106 1/20 0.31
HTR1A P08908 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SRC P12931 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
SCHEMBL8101368 0.72 TRIM24 (0.39) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8109287 0.71 KMT2A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMYC
SCHEMBL8103219 0.71 ADORA3 (0.39) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL8093553 0.70 ADORA3 (0.31) KMT2A
SCHEMBL8101449 0.69 MYC (0.40) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL8093555 0.69 GRM5 (0.33)
SCHEMBL8109284 0.68 GAA (0.37) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8101364 0.66 KDM4E (0.40) KDM4ESMN1; SMN2GAAHTTMAPT
SCHEMBL8093773 0.66 CHRM2 (0.33) KDM4E
SCHEMBL13922214 0.66 GAA (0.51) KDM4EALDH1A1SMN1; SMN2LMNAGAA

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