SCHEMBL7442467

SCHEMBL7442467

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(CC)c2n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
GSK3B P49841 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
SCHEMBL7433797 0.94
SCHEMBL7429419 0.91 RAB9A (0.33) TRPA1
SCHEMBL7445765 0.91 AGTR1 (0.31)
SCHEMBL7445264 0.90 AGTR1 (0.33)
SCHEMBL7442646 0.90 GSK3B (0.36) GSK3B
SCHEMBL7434976 0.90 AGTR1 (0.34)
SCHEMBL7447253 0.88
SCHEMBL7427170 0.88 CSNK2A1 (0.35)
SCHEMBL7440098 0.88 AGTR1 (0.32) TRPA1
SCHEMBL7437420 0.88 AGTR1 (0.33)

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