SCHEMBL5802182

SCHEMBL5802182

N#Cc1cncc(Br)c1.N#Cc1cncc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
GRM5 P41594 1/20 0.36
MAP4K4 O95819 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.34
RAF1 P04049 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL5203421 0.88 HTT (0.45) HTTCYP11B1CYP11B2GRM5RAF1
SCHEMBL248926 0.88
SCHEMBL30603171 0.88
SCHEMBL29919144 0.88
SCHEMBL2642286 0.88
SCHEMBL7172966 0.78 HTT (0.38) HTTCYP11B1CYP11B2GRM5RAF1
SCHEMBL116722 0.77
Cyanide SCHEMBL27868730 0.76 KDM4E (0.39) HTTCYP11B1CYP11B2KDM4EPOLB
Bromide SCHEMBL1454620 0.75 KMT2A (0.41) HTTMAP4K4KDM4EPOLBHCAR2
SCHEMBL6656331 0.75 POLB (0.50) HTTCYP11B2KDM4EPOLBHCAR2

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-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed