SCHEMBL31295837

SCHEMBL31295837

CCc1c(Br)c(=O)n2nc(C3=CCC(O)CC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.54
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ RORC P51449 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL30984140 0.91 WRN (0.53) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL25037213 0.87 WRN (0.69) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL30037138 0.87 WRN (0.69) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295756 0.87 WRN (0.47) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295752 0.86 WRN (0.62) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295832 0.86 WRN (0.64) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295768 0.85 WRN (0.56) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295799 0.85 WRN (0.56) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295761 0.85 WRN (0.53) WRNACHEALDH1A1KDM4ETSHR
SCHEMBL31295782 0.85 WRN (0.48) WRNACHEALDH1A1KDM4ETSHR

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
Send feedback