SCHEMBL7440798

SCHEMBL7440798

Cc1cc(NCc2ccc(-n3cccc3-c3nnn[nH]3)cc2)n2c(C(=O)O)ncc2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
GAA P10253 1/20 0.32
VCP P55072 1/20 0.31
TGFBR1 P36897 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
BDKRB1 P46663 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7440210 0.91 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL7434517 0.83 AGTR1 (0.41) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL7440779 0.81 TGFBR1 (0.31) TGFBR1
SCHEMBL7449376 0.80 SMN1; SMN2 (0.37) GAATP53MAPTMEN1NPC1
SCHEMBL7445475 0.80 KCNN3 (0.41) AGTR1GAATP53MAPTMEN1
SCHEMBL7440104 0.76 KMT2A (0.43) GAATP53MAPTMEN1NPC1
SCHEMBL7440007 0.74 AGTR1 (0.40) AGTR1
SCHEMBL7442791 0.74 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7437917 0.70 AGTR1 (0.32) AGTR1
SCHEMBL7440140 0.70 PRKAB2 (0.48) AGTR1

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