SCHEMBL31052425

SCHEMBL31052425

COc1ccc(C)c(NC(=O)c2cnc(Br)s2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 12/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK14 Q16539 6/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL31052554 0.90 LCK (0.41) LCKMEN1POLBKMT2AMAPK14
SCHEMBL31052563 0.85 LCK (0.40) LCKMAPK14NPC1RAB9AMAPK13
SCHEMBL31052681 0.80 LCK (0.60) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052442 0.78 LCK (0.44) LCKMAPK14NPC1RAB9AMAPK13
SCHEMBL31052435 0.78 LCK (0.38) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052656 0.77 PDE4D (0.41) LCKMEN1POLBKMT2AMAPK14
SCHEMBL31052458 0.77 KCNQ3 (0.42) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL31704595 0.77 KDM4E (0.42) LCKMAPK14MAPK13EGFRFYN
SCHEMBL23888273 0.76 CYP1A2 (0.43) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL31705616 0.76 LCK (0.48) 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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