SCHEMBL20176822

SCHEMBL20176822

Cc1cn(-c2ncc(Br)cn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
COMT P21964 1/20 0.31
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21579344 0.76 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL20176821 0.74 KDM4E (0.44) KDM4EALDH1A1HSD17B10
SCHEMBL20176823 0.74 POLB (0.46) KDM4EALDH1A1COMTGAAHSD17B10
SCHEMBL7881481 0.66 KDM4E (0.47) KDM4EALDH1A1GAA
SCHEMBL21652820 0.66 NPSR1 (0.37) KDM4EALDH1A1L3MBTL1COMTGAA
SCHEMBL2628992 0.65 KDM4E (0.45) KDM4EALDH1A1L3MBTL1
SCHEMBL21633972 0.64 CASP3 (0.34)
SCHEMBL21652805 0.64 ALDH1A1 (0.37) KDM4EALDH1A1L3MBTL1GAAHSD17B10
SCHEMBL480289 0.62 KDM4E (1.00) KDM4EALDH1A1L3MBTL1GAAHSD17B10
SCHEMBL27381160 0.61 KDM4E (0.41) KDM4EALDH1A1

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
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO disclosed