SCHEMBL27399170

SCHEMBL27399170

Cc1cnc2ccc(-c3ncncc3-c3ccc(F)cc3)cn12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.43
ADORA2A P29274 8/20 0.42
ADORA1 P30542 8/20 0.42
ADORA2B P29275 5/20 0.42
CYP17A1 P05093 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL27399173 0.85 TGFBR1 (0.41) TGFBR1
SCHEMBL31051181 0.85 TGFBR1 (0.41) TGFBR1
SCHEMBL29907557 0.80 TGFBR1 (0.46) TGFBR1ADORA2AADORA1ADORA2B
SCHEMBL27399217 0.80 ADORA2A (0.47) TGFBR1ADORA2AADORA1ADORA2B
SCHEMBL27399151 0.75 TGFBR1 (0.51) TGFBR1CYP1A2
SCHEMBL31051236 0.74 TGFBR1 (0.46) TGFBR1ALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL14041215 0.74 TGFBR1 (0.43) TGFBR1ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL31452825 0.71 ADORA1 (0.58) ADORA2AADORA1CYP17A1USP2ALDH1A1
SCHEMBL7210230 0.71 MAPK9 (0.59) CYP17A1ALDH1A1
SCHEMBL22290188 0.70 CYP17A1 (0.58) CYP17A1USP2ALDH1A1CYP1A2CYP3A4

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