SCHEMBL31057730

SCHEMBL31057730

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.55
▸ GPR119 Q8TDV5 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BACE1 P56817 3/20 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
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25036809 1.00 WRN (0.55) WRNGPR119ACHEMAPK8MAPT
SCHEMBL31499590 0.97 WRN (0.53) WRNGPR119ACHEMAPK8MAPT
SCHEMBL30038960 0.94 WRN (0.50) WRNGPR119ACHEMAPK8MAPT
SCHEMBL30038096 0.93 WRN (0.49) WRNGPR119MAPTALDH1A1BACE1
SCHEMBL25035212 0.93 WRN (0.49) WRNGPR119MAPTALDH1A1BACE1
SCHEMBL31500029 0.93 WRN (0.47) WRNGPR119MAPTALDH1A1BACE1
SCHEMBL31394551 0.92 WRN (0.48) WRNGPR119ACHEMAPK8MAPT
SCHEMBL31499880 0.92 WRN (0.48) WRNGPR119ACHEMAPK8MAPT
SCHEMBL31499631 0.91 WRN (0.47) WRNMAPTBACE1TSHRUSP2
SCHEMBL30038405 0.91 WRN (0.51) WRNGPR119ACHEMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
CN-119899186-A Azabicyclo derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-29 — — CN disclosed
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 — — WO disclosed
WO-2024220887-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINONE WRN INHIBITORS NIMBUS WADJET, INC. (US) 2024-10-24 — — WO disclosed
WO-2024155884-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-07-25 — — WO disclosed
Send feedback