SCHEMBL31295799

SCHEMBL31295799

CCc1c(Br)c(=O)n2nc(C3=CC(C)OCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.56
▸ ACHE P22303 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.32
▸ LMNA P02545 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
SCHEMBL30037138 0.88 WRN (0.69) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037213 0.88 WRN (0.69) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295752 0.88 WRN (0.62) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295794 0.87 WRN (0.49) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295768 0.86 WRN (0.56) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295832 0.86 WRN (0.64) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295771 0.85 WRN (0.52) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295837 0.85 WRN (0.54) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295763 0.85 WRN (0.50) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295828 0.84 WRN (0.54) WRNACHEPOLBL3MBTL1ALDH1A1

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-4735447-A1 AROMATIC NITROGEN-CONTAINING COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2026-05-06 — — EP disclosed
WO-2025002413-A1 AROMATIC NITROGEN-CONTAINING COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-01-02 — — WO disclosed
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