SCHEMBL7448748

SCHEMBL7448748

CCc1cc(N(C)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
POLB P06746 2/20 0.32
ACHE P22303 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL7448815 0.91 TP53 (0.35) AGTR1AGTR2POLBTP53
SCHEMBL7447253 0.89
SCHEMBL7437420 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL7432726 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7444163 0.87 AGTR1 (0.32) AGTR1AGTR2TP53
SCHEMBL7437195 0.86 GSK3B (0.37) AGTR1AGTR2
SCHEMBL7438693 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL7442737 0.84 CSNK2A1 (0.40) AGTR1AGTR2
SCHEMBL7447262 0.83 GSK3B (0.40) AGTR1AGTR2
SCHEMBL7438197 0.80 PRKAB2 (0.36) AGTR1AGTR2

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-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed