SCHEMBL7444690

SCHEMBL7444690

FC(F)(F)c1cc(Nc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 8/20 0.34
KCNN3 Q9UGI6 4/20 0.33
MAPKAPK2 P49137 2/20 0.32
KCNN1 Q92952 1/20 0.31
KCNN2 Q9H2S1 1/20 0.31
KDR P35968 1/20 0.31
CHRM2 P08172 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
DPP4 P27487 1/20 0.31
SYK P43405 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL7442336 0.87 KCNN3 (0.45) KCNN3MAPKAPK2KCNN1KCNN2DPP4
SCHEMBL7440794 0.85 MEN1 (0.39) KCNN3KCNN1KCNN2CDK2
SCHEMBL7447901 0.85 AGTR1 (0.41) KCNN3MAPKAPK2KCNN1KCNN2CDK2
SCHEMBL7433866 0.83 PDE10A (0.38) KCNN3MAPKAPK2KCNN1KCNN2DPP4
SCHEMBL7442347 0.80 DPP4 (0.40) DPP4
SCHEMBL7437181 0.79 PKM (0.34) KCNN3
SCHEMBL7432932 0.78 MAPT (0.36)
SCHEMBL7441328 0.73 KCNN3 (0.62) KCNN3KCNN1KCNN2CDK2
SCHEMBL7440984 0.73 AGTR1 (0.51) KCNN3KCNN1KCNN2CDK2
SCHEMBL7438720 0.72 KCNN3 (0.47) KCNN3KCNN1KCNN2CDK2

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