SCHEMBL9376802

SCHEMBL9376802

Nc1nc2c(Br)cc(CCc3ccccn3)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 2/20 0.39
PIK3CD O00329 2/20 0.38
PI4KA P42356 2/20 0.38
PIK3CG P48736 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
PIK3CA P42336 1/20 0.38
NSD1 Q96L73 1/20 0.37
EGFR P00533 2/20 0.36
KDR P35968 2/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FLT1 P17948 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIP5K1C O60331 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9376415 0.82 CYP3A4 (0.48) DRD2KCNH2CYP1A2CYP2D6L3MBTL1
SCHEMBL9376147 0.81 HSD17B10 (0.43) PIK3CDPI4KAPIK3CGPI4KBPIK3CA
SCHEMBL9375337 0.80 ALDH1A1 (0.42) PIK3CDPI4KAPIK3CGPI4KBNSD1
SCHEMBL9376809 0.78 PI4KA (0.56) DRD2KCNH2CYP2D6PIK3CDPI4KA
SCHEMBL21638261 0.73 ASIC3 (0.46) DRD2KCNH2HRH1PIK3CDPI4KA
SCHEMBL2920238 0.72 NSD1 (0.50) PI4KAPI4KBPIK3CANSD1HSD17B10
SCHEMBL8548182 0.71 DRD2 (0.41) DRD2KCNH2CYP2D6HRH1PIK3CD
SCHEMBL9375983 0.69 RAB9A (0.62) DRD2KCNH2CYP2D6PIK3CDPI4KA
SCHEMBL2912621 0.69 RAB9A (0.45) DRD2KCNH2NSD1HSD17B10NPC1
SCHEMBL28055776 0.68 NSD1 (0.45) CYP1A2NSD1HSD17B10CYP2C19KDM4E

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-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed