SCHEMBL29047802

SCHEMBL29047802

COC(=O)c1cnn(Cc2cnc(SC)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KLKB1 P03952 5/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CD74 P04233 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31075223 0.87 GRM2 (0.44) GRM2HPGDMEN1KMT2AKDM4E
SCHEMBL29047870 0.85 L3MBTL1 (0.51) MEN1KMT2AKLKB1L3MBTL1
SCHEMBL18794996 0.78 GRM2 (0.53) GRM2HPGDMEN1TP53KMT2A
SCHEMBL3765456 0.78 KLKB1 (0.53) KLKB1KDM4EALDH1A1L3MBTL1
SCHEMBL23773968 0.76 BTK (0.54) GRM2KLKB1
SCHEMBL29117303 0.76 GRM2 (0.61) GRM2TP53KLKB1KDM4EALDH1A1
SCHEMBL17895755 0.76 L3MBTL1 (0.60) GRM2HPGDMEN1TP53KMT2A
SCHEMBL2221944 0.75 MAPK1 (0.52) TP53KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2187671 0.74 L3MBTL1 (0.45) GRM2HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL21375878 0.73 GRM2 (0.54) GRM2HPGDMEN1TP53KMT2A

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
EP-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 — — EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 — — WO disclosed
CN-116157154-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-05-23 — — CN disclosed
Send feedback