SCHEMBL8407697

SCHEMBL8407697

O=c1nc2c(c[nH]1)[nH]c(=O)n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
GSK3A P49840 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MAP3K11 Q16584 2/20 0.39
CSNK2A1 P68400 4/20 0.39
NTRK1 P04629 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8407792 0.81 ATM (0.48) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL8407924 0.76 HPGD (0.54) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8407994 0.74 ADORA3 (0.47) MEN1KMT2ALMNAL3MBTL1GAA
SCHEMBL24654511 0.73 GSK3B (0.55) GSK3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL8407814 0.71 GAA (0.47) MEN1KMT2ALMNAL3MBTL1GAA
SCHEMBL4629477 0.71 DAO (0.58) GSK3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL1565110 0.71 MEN1 (0.43) GSK3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL5805556 0.69 CYP1A2 (0.49) GSK3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL3523181 0.68 HCAR1 (0.55) GSK3BMEN1KMT2ALMNAGAA
SCHEMBL8405032 0.68 KMT2A (0.46) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673938-B1 Purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO (JP) 1999-07-07 EP disclosed
US-5658918-A INHIBITING NASAL MUCOUS SECRETION NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0673938-A2 Novel purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1995-09-27 EP disclosed