SCHEMBL7429438

SCHEMBL7429438

CCc1cnn2c(NCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)cc(C)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
CDK2 P24941 4/20 0.47
CCNE1 P24864 3/20 0.47
GSK3B P49841 2/20 0.46
GPR39 O43194 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PI4KB Q9UBF8 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.38
CDK9 P50750 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
SCHEMBL7442770 0.93 KMT2A (0.52) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7442480 0.91 CDK2 (0.47) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7443472 0.90 KMT2A (0.57) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7439349 0.89 KMT2A (0.55) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7441767 0.89 KMT2A (0.55) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7443932 0.86 KMT2A (0.51) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL7440260 0.86 KMT2A (0.52) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7433811 0.85 GSK3B (0.42) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7445780 0.84 KMT2A (0.45) KMT2AMEN1NPC1RAB9ACDK2
SCHEMBL7438720 0.83 KCNN3 (0.47) KMT2AMEN1NPC1RAB9ACDK2

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