SCHEMBL31401683

SCHEMBL31401683

COC(=O)c1cc(Cc2ccnc(NCc3ccc(OC)cc3OC)c2F)c(F)c(F)c1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ERBB2 P04626 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ CDC42BPA Q5VT25 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CSNK1G3 Q9Y6M4 1/20 0.44
▸ CYP1A2 P05177 16/20 0.43
▸ CYP3A4 P08684 16/20 0.43
▸ CYP2C19 P33261 16/20 0.43
▸ TSHR P16473 13/20 0.43
▸ CYP2D6 P10635 12/20 0.43
▸ USP2 O75604 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43

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
SCHEMBL30822987 1.00 MAPT (0.47) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL31401592 0.89 MAPT (0.44) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL38651248 0.89 MAPT (0.44) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL23694114 0.86 MAPT (0.43) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL31401828 0.86 MAPT (0.43) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL31401761 0.85 MAPT (0.41) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL30080297 0.85 MAP2K1 (0.43) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL23694115 0.85 MAP2K1 (0.43) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL31401739 0.85 MAPT (0.41) MAPTERBB2PRKACARPS6KB1GSK3A
SCHEMBL31401775 0.84 MAPT (0.42) MAPTERBB2PRKACARPS6KB1GSK3A

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-4740942-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF HUAJIAN FUTURE (CHENGDU) TECHNOLOGY CO., LTD. (CN) 2026-05-13 — — EP disclosed
WO-2025007811-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF 成都华健未来科技有限公司 2025-01-09 — — WO disclosed
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