SCHEMBL30746525

SCHEMBL30746525

CNS(=O)(=O)Nc1nccc(Cc2cncc(Nc3ccc(Cl)cc3F)c2C(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.38
▸ RAF1 P04049 4/20 0.37
▸ MAP2K1 Q02750 4/20 0.37
▸ BRAF P15056 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAP2K5 Q13163 1/20 0.36
▸ FLT1 P17948 4/20 0.33
▸ KDR P35968 4/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ TRPM5 Q9NZQ8 1/20 0.31
▸ CCR9 P51686 1/20 0.30

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
SCHEMBL26985377 1.00 NUDT1 (0.38) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL26985030 0.90 NUDT1 (0.41) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL30746401 0.90 NUDT1 (0.41) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL30746573 0.89 NUDT1 (0.40) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL26985286 0.89 NUDT1 (0.40) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL30746529 0.89 RAF1 (0.42) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL26984961 0.89 RAF1 (0.42) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL30746644 0.86 RAF1 (0.39) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL26985123 0.86 RAF1 (0.39) NUDT1RAF1MAP2K1BRAFCYP2C9
SCHEMBL30746357 0.82 RAF1 (0.41) RAF1MAP2K1BRAFCYP2C9MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120129678-A Mitogen-activated protein kinase (MEK) inhibitors 耐斯泰德医疗公司 2025-06-10 — — CN disclosed
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 — — EP disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 — — WO disclosed
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