SCHEMBL30746485

SCHEMBL30746485

COc1ccc(CNc2nccc(Oc3cncc(N)c3C)c2F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 17/20 0.46
▸ CYP3A4 P08684 17/20 0.46
▸ CYP2C19 P33261 16/20 0.46
▸ CYP2D6 P10635 16/20 0.46
▸ TSHR P16473 12/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ ALOX15 P16050 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CLK4 Q9HAZ1 8/20 0.45
▸ CYP2C9 P11712 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ USP2 O75604 6/20 0.44
▸ LMNA P02545 6/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42

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
SCHEMBL26984939 1.00 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL26985424 0.83 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30746526 0.83 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22497892 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL29377730 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL26984969 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30746539 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30746592 0.81 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL26984977 0.81 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31210360 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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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