SCHEMBL5501620

SCHEMBL5501620

CCS(=O)(=O)C1CC1C1=NNCC1=C1C=Cc2ccccc2N1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
P2RX4 Q99571 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
SCHEMBL5501615 1.00 GAA (0.32) GAAMAPTP2RX4
SCHEMBL4471450 0.80 GAA (0.32) GAAMAPTP2RX4
SCHEMBL4471457 0.80 GAA (0.32) GAAMAPTP2RX4
SCHEMBL4462510 0.67 GAA (0.31) GAAMAPT
SCHEMBL4462506 0.67 GAA (0.31) GAAMAPT
SCHEMBL5504074 0.64 HTR6 (0.34)
SCHEMBL5504078 0.64 HTR6 (0.34)
SCHEMBL4465969 0.58 PSIP1 (0.36) GAAMAPT
SCHEMBL4465966 0.58 PSIP1 (0.36) GAAMAPT
SCHEMBL4477020 0.56 GAA (0.41) GAAMAPTP2RX4

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