SCHEMBL31052617

SCHEMBL31052617

COc1ccc(C)c(NC(=O)c2cnc(Nc3n[nH]cc3C)s2)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 17/20 0.46
▸ MAPK14 Q16539 5/20 0.45
▸ MAPK13 O15264 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ FYN P06241 2/20 0.41
▸ HCK P08631 2/20 0.41
▸ SRC P12931 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ MAPK12 P53778 2/20 0.41
▸ MAPK11 Q15759 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ YES1 P07947 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ FGR P09769 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ BCR P11274 1/20 0.41

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
SCHEMBL31705616 0.83 LCK (0.48) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052698 0.82 LCK (0.49) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052540 0.81 MAPK14 (0.53) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052666 0.81 MAPK14 (0.42) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052607 0.81 MAPK14 (0.42) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31106087 0.80 LCK (0.45) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052438 0.79 LCK (0.46) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052645 0.79 LCK (0.46) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052554 0.78 LCK (0.41) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31704595 0.77 KDM4E (0.42) LCKMAPK14MAPK13EGFRFYN

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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