SCHEMBL5961582

SCHEMBL5961582

Cc1nn(C)c2ncc(NC(=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N(C)C)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.54
CCR5 P51681 1/20 0.54
KDR P35968 3/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
KIT P10721 1/20 0.47
SRC P12931 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
BLK P51451 1/20 0.47
NR3C1 P04150 8/20 0.46
THRB P10828 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
GRM4 Q14833 1/20 0.39
AR P10275 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
SCHEMBL5961482 0.82 CCR2 (0.51) CCR2CCR5KDRABL1LCK
SCHEMBL6904399 0.81 CCR2 (0.49) CCR2CCR5KDRABL1LCK
SCHEMBL5961552 0.75 CCR2 (0.47) CCR2CCR5KDRABL1LCK
SCHEMBL5961532 0.74 CCR2 (0.69) CCR2CCR5KDRABL1LCK
SCHEMBL5961553 0.74 CCR2 (0.45) CCR2CCR5KDRABL1LCK
SCHEMBL5961555 0.74 CCR2 (0.51) CCR2CCR5KDRABL1LCK
SCHEMBL5961444 0.74 CCR2 (0.47) CCR2CCR5KDRABL1LCK
Hydrochloric Acid SCHEMBL5961481 0.72 CCR2 (0.50) CCR2CCR5KDRABL1LCK
SCHEMBL5961472 0.72 CCR2 (0.63) CCR2CCR5KDRABL1LCK
SCHEMBL5961588 0.72 CCR2 (0.47) CCR2CCR5KDRABL1LCK

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-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed