SCHEMBL16257572

SCHEMBL16257572

COc1nc(Nc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(NC3CCOCC3F)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.69
CCR5 P51681 4/20 0.69
LRRK2 Q5S007 1/20 0.36
EPHA2 P29317 2/20 0.35
KDR P35968 2/20 0.35
EPHB4 P54760 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
EGFR P00533 7/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ERBB2 P04626 1/20 0.35
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
LCK P06239 1/20 0.34
PTK6 Q13882 1/20 0.34

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
SCHEMBL16257522 0.91 CCR2 (0.80) CCR2CCR5LRRK2EPHA2KDR
SCHEMBL16257523 0.91 CCR2 (0.80) CCR2CCR5LRRK2EPHA2KDR
SCHEMBL16257554 0.89 CCR2 (0.63) CCR2CCR5LRRK2EPHA2KDR
SCHEMBL16257528 0.89 CCR2 (0.66) CCR2CCR5JAK2JAK1EGFR
SCHEMBL12180013 0.89 CCR2 (0.66) CCR2CCR5JAK2JAK1EGFR
SCHEMBL15083660 0.88 CCR2 (0.83) CCR2CCR5EPHA2KDREPHB4
SCHEMBL15083656 0.88 CCR2 (0.83) CCR2CCR5EPHA2KDREPHB4
SCHEMBL16257569 0.88 CCR2 (0.81) CCR2CCR5EPHA2KDREPHB4
SCHEMBL16257571 0.88 CCR2 (0.81) CCR2CCR5EPHA2KDREPHB4
SCHEMBL15083693 0.86 CCR2 (0.65) CCR2CCR5EPHA2KDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed