SCHEMBL27399082

SCHEMBL27399082

Cc1ncn(-c2ccc(F)cc2)c1-c1ccc2nccn2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.54
TGFBR1 P36897 12/20 0.52
TGFBR2 P37173 2/20 0.44
DYRK1A Q13627 2/20 0.43
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 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
SCHEMBL27399088 0.78 PTGS2 (0.54) PTGS2TGFBR1TGFBR2
SCHEMBL1830448 0.76 DYRK1A (0.71) TGFBR1DYRK1AAKT1PIK3CAMTOR
SCHEMBL27399089 0.76 PTGS2 (0.52) PTGS2TGFBR1TGFBR2
SCHEMBL19967375 0.74 PTGS2 (0.67) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL27399209 0.72 TGFBR1 (0.60) TGFBR1DYRK1AMAPK14AKT1PIK3CA
SCHEMBL21401310 0.71 TGFBR1 (0.53) TGFBR1TGFBR2DYRK1AAKT1PIK3CA
SCHEMBL6290575 0.70 PTGS2 (1.00) PTGS2
SCHEMBL27399097 0.70 TGFBR1 (0.47) PTGS2TGFBR1DYRK1AAKT1PIK3CA
SCHEMBL27398648 0.69 TGFBR1 (0.43) TGFBR1DYRK1AAKT1PIK3CAMTOR
SCHEMBL1355263 0.69 DYRK1A (0.53) TGFBR1DYRK1AAKT1PIK3CAMTOR

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
WO-2024126404-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed