SCHEMBL7445780

SCHEMBL7445780

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
GSK3B P49841 2/20 0.44
AGTR1 P30556 9/20 0.41
AGTR2 P50052 8/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR39 O43194 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 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
SCHEMBL7442480 0.91 CDK2 (0.47) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7445281 0.90 CDK2 (0.46) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7442658 0.90 GSK3B (0.56) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7443472 0.90 KMT2A (0.57) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7433811 0.89 GSK3B (0.42) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7427188 0.88 CDK2 (0.49) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7435005 0.88 AGTR1 (0.44) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7440096 0.88 AGTR1 (0.44) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7447262 0.87 GSK3B (0.40) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL7438654 0.86 CCNA2 (0.47) KMT2ANPC1RAB9AMEN1GSK3B

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