SCHEMBL27399088

SCHEMBL27399088

Cc1ncn(-c2ccc(F)cc2)c1-c1ccc2ncc(C)n2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.54
TGFBR1 P36897 13/20 0.42
TGFBR2 P37173 2/20 0.40
GRM2 Q14416 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 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
SCHEMBL27399089 0.88 PTGS2 (0.52) PTGS2TGFBR1TGFBR2
SCHEMBL27399082 0.78 PTGS2 (0.54) PTGS2TGFBR1TGFBR2
SCHEMBL19967375 0.74 PTGS2 (0.67) PTGS2
SCHEMBL27399217 0.73 ADORA2A (0.47) TGFBR1TGFBR2ADORA2AADORA2BADORA1
SCHEMBL14041215 0.73 TGFBR1 (0.43) TGFBR1ADORA2AADORA2BADORA1
SCHEMBL27399102 0.72 TGFBR1 (0.39) PTGS2TGFBR1GRM2ADORA2AADORA2B
SCHEMBL27398657 0.71 FLT3 (0.39) TGFBR1GRM2ADORA2AADORA2BADORA1
SCHEMBL6290575 0.70 PTGS2 (1.00) PTGS2
SCHEMBL24155891 0.68 ADORA2A (0.44) TGFBR1ADORA2AADORA2BADORA1
SCHEMBL27399170 0.68 TGFBR1 (0.43) TGFBR1ADORA2AADORA2BADORA1

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