SCHEMBL7449306

SCHEMBL7449306

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nc(NS(=O)(=O)C(F)(F)F)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 9/20 0.38
AGTR1 P30556 9/20 0.38
LMNA P02545 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
SCHEMBL7442870 0.87 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL7442307 0.84 AGTR1 (0.44) AGTR2AGTR1LMNA
SCHEMBL7449313 0.84 AGTR1 (0.32) AGTR2AGTR1
SCHEMBL7442745 0.83 AGTR1 (0.42) AGTR2AGTR1LMNA
SCHEMBL7446289 0.82 BRD4 (0.46) AGTR2AGTR1LMNA
SCHEMBL7437769 0.81 AGTR1 (0.42) AGTR2AGTR1LMNA
SCHEMBL7447395 0.80 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL7446034 0.78 GAA (0.48) AGTR2AGTR1LMNA
SCHEMBL7448470 0.78 AGTR1 (0.39) AGTR2AGTR1
SCHEMBL7436596 0.77 AGTR1 (0.42) AGTR2AGTR1LMNA

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