SCHEMBL7446552

SCHEMBL7446552

Cc1cc(NCc2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GSK3B P49841 1/20 0.36
GPR39 O43194 1/20 0.36
AGTR1 P30556 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL7440327 0.93 AGTR1 (0.39) GSK3BAGTR1
SCHEMBL7434200 0.88 KMT2A (0.40) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7443544 0.84 AGTR1 (0.41) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7443932 0.84 KMT2A (0.51) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7436086 0.82 GSK3B (0.41) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7438615 0.82 AGTR1 (0.42) GSK3BAGTR1
SCHEMBL7446546 0.82
SCHEMBL7439807 0.81 GSK3B (0.49) GSK3BAGTR1
SCHEMBL7436199 0.80 GSK3B (0.41) GSK3BAGTR1
SCHEMBL7438648 0.79 AGTR1 (0.36) 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-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