SCHEMBL30876291

SCHEMBL30876291

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)c(-c3cn4c(n3)OC(C)C4)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.37
▸ GALR2 O43603 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ SCD O00767 3/20 0.35
▸ PAX8 Q06710 2/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL29206982 1.00 NAMPT (0.37) NAMPTGALR2KDM4EAURKARPS6KB1
SCHEMBL29206979 1.00 NAMPT (0.37) NAMPTGALR2KDM4EAURKARPS6KB1
SCHEMBL30876254 1.00 NAMPT (0.37) NAMPTGALR2KDM4EAURKARPS6KB1
SCHEMBL30876288 0.93 PAX8 (0.38) PAX8
SCHEMBL29206994 0.93 PAX8 (0.38) PAX8
SCHEMBL30876259 0.93 PAX8 (0.38) PAX8
SCHEMBL30876258 0.93 PAX8 (0.38) PAX8
SCHEMBL29206998 0.93 PAX8 (0.38) PAX8
SCHEMBL30876222 0.84 AXL (0.39) KDM4EAXLTYRO3MERTK
SCHEMBL30876240 0.84 AXL (0.39) KDM4EAXLTYRO3MERTK

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
CN-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 — — CN disclosed
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