SCHEMBL7444345

SCHEMBL7444345

CCc1cnc2ccnn2c1NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.40
AGTR2 P50052 13/20 0.40
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
KCNN1 Q92952 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL7433874 0.82 KCNN3 (0.41) AGTR1AGTR2KCNN1KCNN2KCNN3
SCHEMBL7444327 0.80 DGAT1 (0.32)
SCHEMBL7436471 0.79 MYC (0.40) USP1WDR48
SCHEMBL7440984 0.79 AGTR1 (0.51) AGTR1AGTR2KCNN1KCNN2KCNN3
SCHEMBL7441328 0.77 KCNN3 (0.62) AGTR1AGTR2KCNN1KCNN2KCNN3
SCHEMBL7438720 0.77 KCNN3 (0.47) AGTR1AGTR2KCNN1KCNN2KCNN3
SCHEMBL7437203 0.76 KCNN3 (0.47) AGTR1AGTR2KCNN1KCNN2KCNN3
SCHEMBL7441634 0.75 KCNN3 (0.46) AGTR1KCNN1KCNN2KCNN3
SCHEMBL7442336 0.74 KCNN3 (0.45) AGTR1AGTR2KCNN1KCNN2KCNN3
SCHEMBL7433829 0.74 KCNN3 (0.45) KCNN1KCNN2KCNN3

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