SCHEMBL12003113

SCHEMBL12003113

N#Cc1ccc(-c2nc3cc[nH]c(=O)c3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.43
▸ RIPK1 Q13546 1/20 0.39
▸ NOTUM Q6P988 1/20 0.35
▸ ATIC P31939 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ DAO P14920 2/20 0.35
▸ AR P10275 1/20 0.34
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CDC25C P30307 1/20 0.34
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL12154294 0.81 RAB9A (0.43) APP
SCHEMBL2582411 0.81 ALDH1A1 (0.44) APPNOTUMMEN1KMT2A
SCHEMBL28561318 0.81 SMN1; SMN2 (0.47) PIM1PIM3MEN1KMT2A
SCHEMBL16337251 0.70 MAPK1 (0.47) —
SCHEMBL25028302 0.69 APP (0.68) APPMEN1KMT2A
SCHEMBL4402264 0.69 RAB9A (0.41) —
SCHEMBL792405 0.69 TYK2 (0.45) PIM1PIM3PIM2
SCHEMBL13813849 0.68 APP (0.49) APPNOTUMCDC25ACDC25BCDC25C
SCHEMBL12075201 0.67 SCD (0.37) —
SCHEMBL25028048 0.67 APP (0.42) APPNOTUMCDC25ACDC25BCDC25C

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
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 — — EP disclosed
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