SCHEMBL30746491

SCHEMBL30746491

Cc1c(Cc2ccnc(NS(C)(=O)=O)c2F)cncc1Nc1ccc(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.36
▸ PTGS1 P23219 4/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ RAF1 P04049 3/20 0.34
▸ MAP2K1 Q02750 3/20 0.34
▸ CLK1 P49759 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAP2K5 Q13163 1/20 0.33
▸ RET P07949 1/20 0.32
▸ KIF5B P33176 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL26985172 1.00 SLC22A12 (0.36) SLC22A12PTGS1PTGS2KMT2ARAF1
SCHEMBL30746420 0.92 RAF1 (0.42) KMT2ARAF1MAP2K1CLK1HDAC3
SCHEMBL26985095 0.92 RAF1 (0.42) KMT2ARAF1MAP2K1CLK1HDAC3
SCHEMBL26984886 0.88 KMT2A (0.34) KMT2AMAP2K1CLK1HDAC3HDAC1
SCHEMBL30746469 0.88 KMT2A (0.34) KMT2AMAP2K1CLK1HDAC3HDAC1
SCHEMBL30746542 0.85 HDAC3 (0.39) KMT2AHDAC3HDAC1HDAC6EGFR
SCHEMBL26985226 0.85 HDAC3 (0.39) KMT2AHDAC3HDAC1HDAC6EGFR
SCHEMBL30746495 0.84 KMT2A (0.32) KMT2AMAP2K1CLK1HDAC3HDAC1
SCHEMBL26985133 0.84 KMT2A (0.32) KMT2AMAP2K1CLK1HDAC3HDAC1
SCHEMBL30746618 0.84 HDAC3 (0.39) KMT2AMAP2K1HDAC3HDAC1HDAC6

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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