SCHEMBL31052450

SCHEMBL31052450

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 15/20 0.39
▸ MAPK14 Q16539 4/20 0.38
▸ ABL1 P00519 2/20 0.35
▸ SRC P12931 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ YES1 P07947 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ FGR P09769 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35

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
SCHEMBL31052666 0.89 MAPK14 (0.42) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052673 0.88 LCK (0.42) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052501 0.84 LCK (0.41) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052627 0.82 MAPK14 (0.40) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052726 0.81 LCK (0.38) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052551 0.81 LCK (0.38) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052612 0.80 LCK (0.40) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31052607 0.79 MAPK14 (0.42) LCKMAPK14ABL1SRCMAPK13
SCHEMBL31704661 0.79 LCK (0.47) LCKMAPK14SRCMAPK13EGFR
SCHEMBL31052617 0.77 LCK (0.46) LCKMAPK14ABL1SRCMAPK13

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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