SCHEMBL16257576

SCHEMBL16257576

COc1cc(Nc2ncnc(C(=O)O)c2C)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.49
ANO2 Q9NQ90 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.46
KDR P35968 4/20 0.45
EGFR P00533 7/20 0.44
RET P07949 1/20 0.44
LCK P06239 1/20 0.44
AURKB Q96GD4 3/20 0.43
AURKA O14965 2/20 0.43
TNIK Q9UKE5 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPK14 Q16539 2/20 0.42
IGF1R P08069 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40

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
SCHEMBL16257575 0.87 MAPT (0.48) ANO1ANO2ABCG2KDREGFR
SCHEMBL16257589 0.81 CSNK2A2 (0.48) EGFRIGF1R
SCHEMBL16257609 0.78 CSF1R (0.47) KDREGFRTNIK
SCHEMBL16257563 0.78 ALDH1A1 (0.38) ABCG2KDREGFRAURKBAURKA
SCHEMBL16257513 0.76 CSF1R (0.45) KDREGFRTNIK
SCHEMBL16257514 0.71 KDM4E (0.46) ABCG2EGFR
SCHEMBL16737111 0.70 ANO1 (0.56) ANO1ANO2TNIKALOX15
SCHEMBL15033668 0.69 KMO (0.58) KDREGFR
SCHEMBL16257511 0.69 DHODH (0.55) KDREGFRBRAF
SCHEMBL6055173 0.69 ATM (0.63)

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