SCHEMBL30876240

SCHEMBL30876240

CNS(=O)(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)c(-c2cn3c(n2)O[C@H](C)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.39
▸ TYRO3 Q06418 2/20 0.39
▸ MERTK Q12866 2/20 0.39
▸ MAPT P10636 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL30876222 1.00 AXL (0.39) AXLTYRO3MERTKMAPTJAK3
SCHEMBL29206953 1.00 AXL (0.39) AXLTYRO3MERTKMAPTJAK3
SCHEMBL29206956 1.00 AXL (0.39) AXLTYRO3MERTKMAPTJAK3
SCHEMBL29206983 0.92 TEAD1 (0.37) MAPTCDK1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL30876242 0.92 TEAD1 (0.37) MAPTCDK1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL29206985 0.92 TEAD1 (0.37) MAPTCDK1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL30876215 0.92 TEAD1 (0.37) MAPTCDK1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL30876254 0.84 NAMPT (0.37) AXLTYRO3MERTKKDM4E
SCHEMBL30876291 0.84 NAMPT (0.37) AXLTYRO3MERTKKDM4E
SCHEMBL29206982 0.84 NAMPT (0.37) AXLTYRO3MERTKKDM4E

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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