SCHEMBL30746514

SCHEMBL30746514

COc1ccc(CNc2nccc(Cc3cncc(Nc4ccc(Br)cc4F)c3C)c2F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 15/20 0.40
▸ CYP3A4 P08684 15/20 0.40
▸ CYP2C19 P33261 15/20 0.40
▸ CYP2D6 P10635 13/20 0.40
▸ CLK4 Q9HAZ1 8/20 0.40
▸ HSD17B10 Q99714 8/20 0.40
▸ USP2 O75604 6/20 0.40
▸ LMNA P02545 6/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ TSHR P16473 12/20 0.40
▸ ALOX15 P16050 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 9/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ CYP2C9 P11712 6/20 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
SCHEMBL26984959 1.00 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL26985343 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL30746419 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL26985477 0.83 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL31401688 0.83 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL30746372 0.82 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL26985134 0.82 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL30746673 0.81 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL26984891 0.81 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL26985351 0.80 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6CLK4

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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