SCHEMBL7434200

SCHEMBL7434200

Cc1cc(NCc2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2ncc(Cl)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GSK3B P49841 2/20 0.39
CDK2 P24941 4/20 0.39
GPR39 O43194 1/20 0.38
AGTR1 P30556 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7436199 0.92 GSK3B (0.41) GSK3BCDK2AGTR1
SCHEMBL7446552 0.88 KMT2A (0.38) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7443544 0.87 AGTR1 (0.41) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7436086 0.85 GSK3B (0.41) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7439807 0.84 GSK3B (0.49) GSK3BCDK2AGTR1
SCHEMBL7438615 0.84 AGTR1 (0.42) GSK3BCDK2AGTR1
SCHEMBL7439349 0.83 KMT2A (0.55) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7438648 0.82 AGTR1 (0.36) AGTR1
SCHEMBL7440954 0.81 GSK3B (0.39) GSK3BCDK2AGTR1
SCHEMBL7434191 0.81 AGTR1 (0.31) 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