SCHEMBL16152253

SCHEMBL16152253

Cc1ccc(-n2c(C(C)N(CCc3ccccc3)C(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 19/20 0.58
PDE10A Q9Y233 1/20 0.51

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
SCHEMBL14622633 0.91 CXCR3 (0.51) CXCR3
SCHEMBL8437614 0.83 CXCR3 (0.65) CXCR3
SCHEMBL8436513 0.79 CXCR3 (0.69) CXCR3PDE10A
SCHEMBL12464100 0.78 CXCR3 (0.67) CXCR3
SCHEMBL14264699 0.77 CXCR3 (0.63) CXCR3PDE10A
SCHEMBL14264716 0.76 PDE10A (0.51) CXCR3PDE10A
SCHEMBL12829863 0.75 CXCR3 (0.59) CXCR3PDE10A
SCHEMBL12464089 0.74 CXCR3 (0.46) CXCR3PDE10A
SCHEMBL7066530 0.73 CXCR3 (0.47) CXCR3
SCHEMBL14264691 0.73 CXCR3 (0.62) CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed