SCHEMBL7440524

SCHEMBL7440524

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2c(C(=O)O)cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.41
AGTR2 P50052 13/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.38

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
SCHEMBL7444891 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7434517 0.85 AGTR1 (0.41) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL7426708 0.84 AGTR1 (0.40) AGTR1GAA
SCHEMBL7442549 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7438511 0.83 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7438436 0.82 AGTR1 (0.40) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL7440866 0.82 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7438223 0.81 GAA (0.62) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL7440495 0.80 TGFBR1 (0.36) AGTR1AGTR2
SCHEMBL7433668 0.77 AGTR1 (0.40) 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-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-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