SCHEMBL7498685

SCHEMBL7498685

CCOC(=O)c1c(C)nc2c(N)cc(Br)cn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
HCRTR1 O43613 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6353312 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6214346 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL15630775 0.84 MAPK1 (0.50) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL13035222 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL25395151 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL25395899 0.77 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL7499292 0.76 SMN1; SMN2 (0.76) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL4169299 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL15663898 0.76 MAPK1 (0.51) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL15664140 0.75 GUCY1B2 (0.48) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed