SCHEMBL5504078

SCHEMBL5504078

CCS(=O)(=O)n1ccc2cc(C3=NNCC3=C3C=Cc4ccccc4N3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.34

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
SCHEMBL5504074 1.00 HTR6 (0.34) HTR6
SCHEMBL4459243 0.83 HTR6 (0.36) HTR6
SCHEMBL4459250 0.83 HTR6 (0.36) HTR6
SCHEMBL5501615 0.64 GAA (0.32)
SCHEMBL5501620 0.64 GAA (0.32)
SCHEMBL10433225 0.61 HTR6 (0.58) HTR6
SCHEMBL12994630 0.61 FABP4 (0.51) HTR6
SCHEMBL4474572 0.58 BRD4 (0.38)
SCHEMBL4474579 0.58 BRD4 (0.38)
SCHEMBL4465969 0.58 PSIP1 (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP claimed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO claimed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP disclosed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO disclosed