SCHEMBL1705645

SCHEMBL1705645

Cc1cc(Nc2cccc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)n2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.56
ITK Q08881 2/20 0.46
AURKA O14965 9/20 0.44
NTRK1 P04629 3/20 0.44
AURKB Q96GD4 5/20 0.43
EGFR P00533 1/20 0.42
RET P07949 3/20 0.42
PLK4 O00444 2/20 0.42
ABL1 P00519 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
KIT P10721 2/20 0.42
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
PDGFRA P16234 2/20 0.42
TYK2 P29597 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
PTK2 Q05397 2/20 0.42
MAP4K5 Q9Y4K4 2/20 0.42

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
SCHEMBL1704773 0.88 KARS1 (0.51) KARS1RETSYKLRRK2TBK1
SCHEMBL1704662 0.87 KARS1 (0.72) KARS1SYK
SCHEMBL1704417 0.85 KARS1 (0.76) KARS1ITKAURKAAURKBJAK2
SCHEMBL1704434 0.83 KARS1 (0.68) KARS1SYK
SCHEMBL902071 0.83 KARS1 (0.72) KARS1
SCHEMBL901785 0.82 KARS1 (0.53) KARS1
SCHEMBL1704409 0.80 KARS1 (0.73) KARS1SYK
SCHEMBL901638 0.76 PRKD3 (0.43) KARS1
SCHEMBL1704697 0.76 KARS1 (0.71) KARS1ITK
SCHEMBL901697 0.75 KARS1 (0.65) KARS1SYKTBK1

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