SCHEMBL9368570

SCHEMBL9368570

CCCc1nc(-c2ccccn2)c(-c2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
NPC1 O15118 1/20 0.39
PTGS2 P35354 1/20 0.39
TGFBR1 P36897 2/20 0.39

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
Bromide SCHEMBL9376098 0.99 MAPK14 (0.46) MAPK14TP53MAPTKDM4EALDH1A1
Bromide SCHEMBL9368207 0.82 TGFBR1 (0.43) MAPK14KDM4ENPC1TGFBR1
SCHEMBL7693026 0.74 NPC1 (0.49) MAPK14TP53MAPTKDM4EALDH1A1
SCHEMBL13506384 0.72 KDM4E (0.50) TP53MAPTKDM4EALDH1A1ADORA2A
SCHEMBL12844164 0.71 ALDH1A1 (0.55) TP53MAPTALDH1A1
SCHEMBL11463722 0.70 IDO1 (0.57) TP53MAPTKDM4EALDH1A1APOBEC3G
SCHEMBL29078801 0.69 KDM4E (0.53) MAPK14KDM4EALDH1A1APOBEC3GADORA2A
SCHEMBL7844784 0.69 TGFBR1 (0.44) MAPK14KDM4EALDH1A1NPC1TGFBR1
SCHEMBL9923202 0.69 KDM4E (0.62) TP53MAPTKDM4EALDH1A1NPC1
SCHEMBL18230383 0.69 ALDH1A1 (0.55) MAPTKDM4EALDH1A1NPC1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625151-A1 THIAZOLYL-PYRIDINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015071-A1 THIAZOLYL-PYRIDINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed