SCHEMBL31052607

SCHEMBL31052607

COc1ccc(C)c(NC(=O)c2cnc(Nc3nn(CC(=O)O)cc3C)s2)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.42
▸ LCK P06239 15/20 0.42
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ MAPK13 O15264 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37

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
SCHEMBL31052493 0.89 LCK (0.39) MAPK14LCKAURKAAURKBMAPK13
SCHEMBL31052502 0.88 MAPK14 (0.39) MAPK14LCKMAPK13ABL1EGFR
SCHEMBL31052634 0.87 LCK (0.38) MAPK14LCKAURKAAURKBMAPK13
SCHEMBL31052569 0.86 LCK (0.46) MAPK14LCKMAPK13ABL1EGFR
SCHEMBL31052604 0.86 LCK (0.37) MAPK14LCKAURKAAURKBMAPK13
SCHEMBL31052666 0.84 MAPK14 (0.42) MAPK14LCKMAPK13ABL1EGFR
SCHEMBL31052568 0.83 LCK (0.45) MAPK14LCKMAPK13ABL1EGFR
SCHEMBL31052627 0.82 MAPK14 (0.40) MAPK14LCKAURKAAURKBMAPK13
SCHEMBL31105857 0.81 MAPK14 (0.41) MAPK14LCKMAPK13ABL1EGFR
SCHEMBL31052617 0.81 LCK (0.46) MAPK14LCKMAPK13ABL1EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676923-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS Cancer Research Technology Limited (GB) 2026-01-14 — — EP disclosed
WO-2024184550-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 — — WO disclosed
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