SCHEMBL5961584

SCHEMBL5961584

Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(C(=O)O)c(OC(C)C)c3)cc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.59
CCR5 P51681 3/20 0.59
NR3C1 P04150 11/20 0.44
SPR P35270 4/20 0.43
POLB P06746 1/20 0.43
RPS6KA2 Q15349 1/20 0.36

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
SCHEMBL7079541 0.82 CCR2 (0.68) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961511 0.79 NR3C1 (0.47) CCR2CCR5NR3C1
SCHEMBL5961458 0.78 CCR2 (0.68) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961499 0.77 CCR2 (0.59) CCR2CCR5NR3C1SPRPOLB
SCHEMBL7202793 0.76 CCR2 (0.69) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961585 0.75 CCR2 (0.74) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961483 0.75 CCR2 (0.66) CCR2CCR5NR3C1SPRPOLB
SCHEMBL18841095 0.75 CCR2 (1.00) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961581 0.74 CCR2 (0.58) CCR2CCR5NR3C1SPRPOLB
SCHEMBL17980531 0.74 NR3C1 (0.57) CCR2CCR5NR3C1SPRPOLB

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
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US claimed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP claimed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO claimed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed