SCHEMBL30305264

SCHEMBL30305264

COc1cc(NC(=O)O)c2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 5/20 0.64
▸ MAPK14 Q16539 1/20 0.55
▸ CDC25A P30304 1/20 0.54
▸ CDC25C P30307 1/20 0.54
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ GPR139 Q6DWJ6 1/20 0.50
▸ IGF1R P08069 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL12809946 0.82 CDC25B (0.59) CDC25BMAPK14CDC25ACDC25CKMT2A
SCHEMBL22757436 0.81 CDC25B (0.54) CDC25BMAPK14CDC25ACDC25CKMT2A
SCHEMBL18257226 0.80 KMT2A (0.56) CDC25BMAPK14CDC25ACDC25CKMT2A
SCHEMBL13352354 0.78 CDC25B (0.56) CDC25BCDC25ACDC25CKMT2AMEN1
SCHEMBL1408380 0.78 CDC25B (0.71) CDC25BCDC25ACDC25CALDH1A1HPGD
SCHEMBL6536796 0.77 CDC25B (0.55) CDC25BMAPK14CDC25ACDC25CKMT2A
SCHEMBL27635348 0.77 MEN1 (0.46) CDC25BKMT2AMEN1KDM4EALDH1A1
SCHEMBL22556212 0.77 KMT2A (0.73) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1162404 0.76 CDC25B (0.80) CDC25BKMT2AMEN1KDM4EALDH1A1
SCHEMBL18257190 0.76 SMN1; SMN2 (0.66) KMT2AMEN1ALDH1A1NPC1RAB9A

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-115836072-A Inhibitors of KRAS G12C protein and uses thereof 上海德琪医药科技有限公司 2023-03-21 — — CN disclosed
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