SCHEMBL27398967

SCHEMBL27398967

COC(=O)Nc1ccc(-c2cnc3c(C)cc(-c4ncnn4-c4ccc(F)c(OC)c4)cn23)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 4/20 0.34
▸ FYN P06241 4/20 0.34
▸ ABCB1 P08183 2/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ MC4R P32245 2/20 0.33
▸ TTK P33981 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL31051199 1.00 PAX8 (0.34) PAX8FYNABCB1ABCC1MC4R
SCHEMBL31051268 0.93 MC4R (0.34) PAX8FYNABCB1MC4RTTK
SCHEMBL31051196 0.89 PIK3CA (0.41) FYNABCB1ABCC1
SCHEMBL31051287 0.86 OXTR (0.35) PAX8FYNABCB1ABCC1MC4R
SCHEMBL31051194 0.86 PAX8 (0.34) PAX8FYNABCB1ABCC1MC4R
SCHEMBL31051255 0.85 TUBB4A (0.35) PAX8FYNABCB1ABCC1MC4R
SCHEMBL31051197 0.84 PIK3CA (0.43) FYNABCB1ABCC1
SCHEMBL27399888 0.84 PIK3CA (0.43) FYNABCB1ABCC1
SCHEMBL31051200 0.83 OXTR (0.41) PAX8FYNABCB1ABCC1MC4R
SCHEMBL27399706 0.83 OXTR (0.41) PAX8FYNABCB1ABCC1MC4R

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
Send feedback