SCHEMBL31416713

SCHEMBL31416713

O=Cc1sc(NC(=O)O)nc1-c1ccn(CC(F)(F)F)c(=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 3/20 0.33
PDE10A Q9Y233 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
PIK3CA P42336 2/20 0.32
PI4KA P42356 2/20 0.32
PIK3CG P48736 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
HDAC6 Q9UBN7 3/20 0.32
LIPC P11150 3/20 0.31
LIPG Q9Y5X9 3/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL31416814 0.84 KMT2A (0.44) ALDH1A1HTTSMN1; SMN2LMNANPSR1
SCHEMBL31416745 0.69 PIK3CD (0.36) PDE10AALDH1A1HTTPIK3CAPI4KA
SCHEMBL31416730 0.68 PIK3CD (0.45) PDE10AALDH1A1PIK3CAPI4KAPIK3CG
SCHEMBL34469724 0.66 KDM4E (0.40) MAPTPDE10AALDH1A1PIK3CAPI4KA
SCHEMBL23617959 0.65 CYP2C19 (0.45) ADORA2APDE10AALDH1A1HDAC6CYP2C9
SCHEMBL7229990 0.64 RIPK1 (0.34) MAPTALDH1A1HTTPI4KBLMNA
SCHEMBL31416779 0.64 PIK3CD (0.34) PDE10APIK3CAPI4KAPIK3CGPI4KB
SCHEMBL34470098 0.64 GAA (0.40) MAPTPDE10AALDH1A1HTTHDAC6
SCHEMBL18631035 0.63 KMO (0.47) HDAC6LMNACYP2C9CYP2C19CYP3A4
SCHEMBL34469948 0.63 PDE10A (0.38) PDE10APIK3CAPI4KAPIK3CGPI4KB

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-4746964-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed