SCHEMBL27398807

SCHEMBL27398807

COC(=O)Nc1ccc(-c2cnc3ccc(C4=NOCCN4c4ccc(F)c(OC)c4)cn23)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.47
▸ MTOR P42345 6/20 0.47
▸ FYN P06241 5/20 0.39
▸ IGF1R P08069 2/20 0.34
▸ RIPK2 O43353 1/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ TTK P33981 2/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ SIK1 P57059 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ SIK3 Q9Y2K2 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL31051204 1.00 PIK3CA (0.47) PIK3CAMTORFYNIGF1RRIPK2
SCHEMBL31051250 0.89 PIK3CA (0.42) PIK3CAMTORFYNTTKPIK3R1
SCHEMBL31051254 0.89 PIK3CA (0.38) PIK3CAMTORFYNIGF1RABCB1
SCHEMBL27399768 0.89 PIK3CA (0.38) PIK3CAMTORFYNIGF1RABCB1
SCHEMBL31051226 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL27398855 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL31051196 0.79 PIK3CA (0.41) PIK3CAMTORFYNIGF1RRIPK2
SCHEMBL31051220 0.79 PIK3CA (0.42) PIK3CAMTORFYNIGF1RRIPK2
SCHEMBL31051298 0.79 PIK3CA (0.41) PIK3CAMTORFYNIGF1RRIPK2
SCHEMBL31051296 0.79 PIK3CA (0.41) PIK3CAMTORFYNIGF1RRIPK2

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
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