SCHEMBL16257528

SCHEMBL16257528

Cc1c(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.66
CCR5 P51681 4/20 0.66
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
EGFR P00533 4/20 0.34
LCK P06239 1/20 0.34
PTK6 Q13882 1/20 0.34
AURKB Q96GD4 1/20 0.34
CNR2 P34972 1/20 0.34
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TYRO3 Q06418 1/20 0.32

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
SCHEMBL12180013 1.00 CCR2 (0.66) CCR2CCR5JAK2JAK1EGFR
SCHEMBL15083693 0.96 CCR2 (0.65) CCR2CCR5JAK2JAK1EGFR
SCHEMBL20976574 0.96 CCR2 (0.65) CCR2CCR5JAK2JAK1EGFR
SCHEMBL15083661 0.96 CCR2 (0.65) CCR2CCR5JAK2JAK1EGFR
SCHEMBL12180006 0.90 CCR2 (0.79) CCR2CCR5
SCHEMBL12179993 0.90 CCR2 (0.79) CCR2CCR5
SCHEMBL15083660 0.89 CCR2 (0.83) CCR2CCR5JAK2JAK1EGFR
SCHEMBL16257572 0.89 CCR2 (0.69) CCR2CCR5JAK2JAK1EGFR
SCHEMBL15083656 0.89 CCR2 (0.83) CCR2CCR5JAK2JAK1EGFR
SCHEMBL20976598 0.87 CCR2 (0.64) CCR2CCR5JAK2JAK1EGFR

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