SCHEMBL30688458

SCHEMBL30688458

COc1cccnc1CC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 2/20 0.38
AURKA O14965 1/20 0.38
PDE10A Q9Y233 1/20 0.38
DRD2 P14416 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SYK P43405 2/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37

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
SCHEMBL535013 1.00 PLAU (0.40) PLAUPDGFRBPDGFRANPSR1RAB9A
SCHEMBL6952639 0.84 GRM5 (0.43) NPSR1MEN1LMNAKMT2AL3MBTL1
SCHEMBL13378356 0.83 MEN1 (0.32) MEN1KMT2AL3MBTL1
SCHEMBL30967514 0.81 PDE5A (0.44) NPSR1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL8371346 0.77 PLAU (0.44) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL506497 0.77 ALDH1A1 (0.55) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL21780451 0.76 ADORA2A (0.45) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL507177 0.76 PLAU (0.43) PLAUPDGFRBPDGFRARAB9ANPC1
Hydrochloric Acid SCHEMBL11095592 0.76 ALDH1A1 (0.53) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL8497269 0.76 PLAU (0.43) PLAUPDGFRBPDGFRANPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 EP disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
CN-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed