SCHEMBL8804378

SCHEMBL8804378

Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C#N)cc1)C(=O)C(C)C2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
TBXA2R P21731 1/20 0.51
AGTR2 P50052 1/20 0.51
PDE3A Q14432 1/20 0.51
ACHE P22303 1/20 0.44
PRKAG1 P54619 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
PPARG P37231 1/20 0.41

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
SCHEMBL683804 0.87 AGTR1 (0.66) AGTR1TBXA2RAGTR2PDE3AACHE
SCHEMBL8803987 0.81 AGTR1 (0.56) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL683809 0.77 AGTR1 (0.51) AGTR1TBXA2RAGTR2PDE3AACHE
SCHEMBL8804958 0.74 AGTR1 (0.52) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7428240 0.72 AGTR1 (0.54) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL8804016 0.71 PPARG (0.48) AGTR1ACHEPRKAG1PRKAA1PRKAB1
SCHEMBL9030149 0.71 PRKAG1 (0.53) AGTR1ACHEPRKAG1PRKAA1PRKAB1
SCHEMBL683885 0.70 AGTR1 (0.65) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL684179 0.69 AGTR1 (0.43) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL13714544 0.69 AGTR1 (0.68) AGTR1TBXA2RAGTR2PDE3A

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
EP-0539086-B1 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PROD (US) 1997-12-29 EP disclosed
US-5498776-A Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 US disclosed
US-5256654-A Substituted pyrrolopyrimidines, azepinopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
EP-0539086-A2 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed