SCHEMBL1704285

SCHEMBL1704285

Brc1cc(-c2ccccc2)cc(Nc2cnccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
LYN P07948 1/20 0.46
SRC P12931 1/20 0.46
BTK Q06187 1/20 0.46
KARS1 Q15046 6/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL901939 0.78 SYK (0.40) LYNSRCBTKKARS1KMT2A
SCHEMBL901654 0.75 KDR (0.47) KDRLYNSRCBTKKARS1
SCHEMBL901941 0.75 KARS1 (0.56) KDRSRCKARS1KMT2AJAK2
SCHEMBL2791072 0.73 KDR (0.56) KDRLYNSRCBTKMEN1
SCHEMBL2789410 0.73 KDR (0.56) KDRMEN1ALDH1A1HPGDKMT2A
SCHEMBL1704286 0.71 KDR (0.39) KDRLYNSRCBTKMEN1
SCHEMBL901737 0.70 CRHBP (0.50) MEN1ALDH1A1HPGDKMT2ACYP19A1
SCHEMBL5787755 0.70 KDR (0.47) KDRMEN1ALDH1A1HPGDKMT2A
Biphenyl SCHEMBL27557877 0.70 ALDH1A1 (0.51) KDRLYNSRCBTKMEN1
SCHEMBL902727 0.69 CHEK1 (0.56) KDRLYNSRCBTKKARS1

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed