SCHEMBL16257514

SCHEMBL16257514

Cc1c(Nc2ccc3cc(Br)ccc3c2)ncnc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
EGFR P00533 13/20 0.44
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MAPK1 P28482 1/20 0.41
FBP1 P09467 1/20 0.41
ALK Q9UM73 1/20 0.40
ERBB2 P04626 5/20 0.40
ERBB4 Q15303 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FYN P06241 1/20 0.39
SRC P12931 1/20 0.39
SORT1 Q99523 1/20 0.39

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
SCHEMBL16257589 0.87 CSNK2A2 (0.48) KDM4EEGFRPIM1MAPK1FYN
SCHEMBL16257608 0.85 HPGD (0.47) KDM4EEGFRERBB2
SCHEMBL16257609 0.84 CSF1R (0.47) KDM4EEGFRMAPK1
SCHEMBL16257513 0.82 CSF1R (0.45) KDM4EEGFRMAPK1
SCHEMBL15033668 0.78 KMO (0.58) EGFRERBB2
SCHEMBL16257590 0.72 KIT (0.50)
SCHEMBL16257511 0.72 DHODH (0.55) KDM4EEGFRFYNSRC
SCHEMBL14306362 0.72 LMNA (0.58) EGFRABCG2
SCHEMBL16257576 0.71 ANO1 (0.49) EGFRABCG2
SCHEMBL16257591 0.71 EGFR (0.50) KDM4EEGFR

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