SCHEMBL5961429

SCHEMBL5961429

Cc1noc2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N3CCOCC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.47
CCR5 P51681 1/20 0.47
BRAF P15056 3/20 0.43
AKT1 P31749 1/20 0.43
THRB P10828 2/20 0.42
RAF1 P04049 2/20 0.41
RIPK1 Q13546 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
KDR P35968 3/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
EPHX2 P34913 1/20 0.40
CSF1R P07333 2/20 0.39
S1PR1 P21453 1/20 0.39
MAPK9 P45984 1/20 0.38

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
SCHEMBL5961430 0.92 CCR2 (0.49) CCR2CCR5BRAFTHRBRIPK1
Hydrochloric Acid SCHEMBL5961437 0.91 CCR2 (0.49) CCR2CCR5BRAFTHRBRIPK1
SCHEMBL5961506 0.74 CCR2 (0.58) CCR2CCR5BRAFTHRBKDR
Hydrochloric Acid SCHEMBL5961557 0.74 CCR2 (0.57) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961503 0.71 CCR2 (0.52) CCR2CCR5BRAFTHRBKDR
Hydrochloric Acid SCHEMBL5961486 0.71 CCR2 (0.51) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961532 0.70 CCR2 (0.69) CCR2CCR5THRBKDRKIT
SCHEMBL5961451 0.70 CCR2 (0.46) CCR2CCR5BRAFTHRBKDR
Hydrochloric Acid SCHEMBL5961464 0.69 CCR2 (0.46) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961456 0.68 CCR2 (0.41) CCR2CCR5BRAFTHRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP disclosed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO disclosed