SCHEMBL7441964

SCHEMBL7441964

Cc1cc(NCc2ccc(CC(c3ccccc3)c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 9/20 0.47
KCNN1 Q92952 1/20 0.47
KCNN2 Q9H2S1 1/20 0.47
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DPP4 P27487 1/20 0.38
GPR39 O43194 1/20 0.38
PDE10A Q9Y233 1/20 0.38
AGTR1 P30556 1/20 0.37

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
SCHEMBL7445717 0.97 KCNN3 (0.48) KCNN3KCNN1KCNN2GAAMEN1
SCHEMBL7441925 0.89 AGTR1 (0.49) KCNN3KCNN1KCNN2MAPKAPK2CCNE1
SCHEMBL7443235 0.86 KCNN3 (0.44) KCNN3KCNN1KCNN2GAAMEN1
SCHEMBL7442472 0.86 KCNN3 (0.49) KCNN3KCNN1KCNN2MAPKAPK2CCNE1
SCHEMBL7429149 0.85 KCNN3 (0.44) KCNN3KCNN1KCNN2GAAMEN1
SCHEMBL7441954 0.81 DPP4 (0.42) KCNN3DPP4
SCHEMBL7438720 0.78 KCNN3 (0.47) KCNN3KCNN1KCNN2GAAMEN1
SCHEMBL7445707 0.78 DPP4 (0.42) KCNN3KCNN1KCNN2DPP4
SCHEMBL7445475 0.76 KCNN3 (0.41) KCNN3KCNN1KCNN2GAAMEN1
SCHEMBL7443099 0.76 AGTR1 (0.47) KCNN3KCNN1KCNN2MAPKAPK2CCNE1

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