SCHEMBL7850823

SCHEMBL7850823

CCCCc1nc2nc(CO)c(Br)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
GPR84 Q9NQS5 5/20 0.38
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34
HPGD P15428 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
SCHEMBL7853172 0.81 HPGD (0.46) NOS3NOS1NOS2PI4KAPI4K2B
SCHEMBL8131528 0.78 GPR84 (0.38) NOS3NOS1NOS2GPR84PI4KA
SCHEMBL2776000 0.78 PARP1 (0.39) GPR84ALDH1A1MAPK1GSK3B
SCHEMBL8123692 0.77 NOS3 (0.39) NOS3NOS1NOS2GPR84PI4KA
SCHEMBL7854000 0.76 PARP1 (0.39) NOS3NOS1NOS2
SCHEMBL8641790 0.74 PARP1 (0.39) NOS3NOS1NOS2GPR84PI4KA
SCHEMBL9122617 0.72 ALDH1A1 (0.41) GPR84PI4KAPI4K2BPI4K2API4KB
SCHEMBL9703975 0.72 PARP1 (0.40) NOS3NOS1NOS2GPR84PI4KA
SCHEMBL7853390 0.71 PKM (0.39) ALDH1A1HPGD
SCHEMBL9704690 0.70 PI4KA (0.43) NOS3NOS1NOS2GPR84PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743943-B1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-10-31 EP disclosed
EP-0765328-B1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2000-08-30 EP disclosed
US-5849753-A Pyridyl imidazole derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-12-15 US disclosed
US-5691348-A INHIBITORS OF ANGIOTENSIN II AS HYPOTENSIVE AGENTS FORMED IN MULTISTAGE PROCESS BY CONDENSATION WITH A CARBOXYLIC ACID, REACTION IN PRESENCE OF BASE, REACTION IN THE PRESENCE OF TETRAKIS/TRIPHENYLPHOSPHINE/PALLADIUM AND OXIDATION DAEWOO ELECTRONICS CO., LTD. (KR) 1997-11-25 US disclosed
EP-0765328-A1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-04-02 EP disclosed
EP-0743943-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-11-27 EP disclosed
WO-1995034564-A1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-12-21 WO disclosed
WO-1995021838-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-08-17 WO disclosed