SCHEMBL7433404

SCHEMBL7433404

Cc1nc(CO)c2c(n1)N(Cc1ccc(Br)cc1)C(=O)CC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.49
TBXA2R P21731 1/20 0.49
AGTR2 P50052 1/20 0.49
PDE3A Q14432 1/20 0.49
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7016278 0.86 AGTR1 (0.57) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7429441 0.83 AGTR1 (0.48) AGTR1TBXA2RAGTR2PDE3AHDAC1
SCHEMBL7428309 0.82 AGTR1 (0.44) AGTR1TBXA2RAGTR2PDE3AHDAC1
SCHEMBL7435529 0.77 AGTR1 (0.44) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7429405 0.76 AGTR1 (0.61) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7435661 0.75 AGTR1 (0.56) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL5767794 0.73 CA12 (0.58) HDAC1HDAC8HDAC6
SCHEMBL683804 0.68 AGTR1 (0.66) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL11105334 0.67 MEN1 (0.50) HDAC1HDAC8HDAC6
SCHEMBL3187321 0.67 AGTR1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618207-B1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PROD (US) 1999-01-07 EP disclosed
EP-0863143-A1 Intermediates useful in the production of pyridopyrimidone angiotensin AII antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-09 EP disclosed
US-5466692-A Substituted pyridopyrimidines and antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
EP-0618207-A1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-05 EP disclosed