SCHEMBL7016763

SCHEMBL7016763

CCc1nc2nc(C#N)cc(C)c2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.64
ADORA3 P0DMS8 5/20 0.41
ADORA2A P29274 4/20 0.41
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NOS3 P29474 1/20 0.31
DDAH1 O94760 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5091129 0.78 ADORA1 (1.00) ADORA1ADORA3ADORA2ACDK1CCNB1
SCHEMBL3217333 0.76 ADORA1 (0.70) ADORA1ADORA3ADORA2ACDK1CCNB1
SCHEMBL3210466 0.76 ADORA1 (0.70) ADORA1ADORA3ADORA2ACDK1CCNB1
SCHEMBL3211435 0.75 ADORA1 (0.37) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL8640873 0.74 ADORA1 (0.68) ADORA1ADORA3ADORA2ACDK1CCNB1
SCHEMBL7387472 0.71 ADORA1 (0.62) ADORA1ADORA3ADORA2ANOS1NOS2
Hydrochloric Acid SCHEMBL9597611 0.70 ADORA1 (0.60) ADORA1ADORA3ADORA2ANOS1NOS2
SCHEMBL9597257 0.68 ADORA1 (0.57) ADORA1ADORA3ADORA2AGAAMEN1
SCHEMBL7018191 0.68 ADORA1 (0.57) ADORA1ADORA3ADORA2ANOS1NOS2
SCHEMBL3211252 0.67 ADORA1 (0.57) ADORA1ADORA3ADORA2ANOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 WO disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed