SCHEMBL2199371

SCHEMBL2199371

c1cc(-c2ncc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)c2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.47
TTBK2 Q6IQ55 2/20 0.47
EPHB4 P54760 1/20 0.46
ATR Q13535 2/20 0.44
MAPKAPK5 Q8IW41 2/20 0.42
PIK3CA P42336 5/20 0.42
PIK3CD O00329 4/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
ZAP70 P43403 2/20 0.42
TTK P33981 2/20 0.40
MTOR P42345 2/20 0.39
JAK2 O60674 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
SLC2A1 P11166 1/20 0.39
AXL P30530 1/20 0.38

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
SCHEMBL1045264 0.86 TTBK1 (0.48) TTBK1TTBK2EPHB4ATRMAPKAPK5
SCHEMBL1044297 0.76 MAPKAPK5 (0.41) TTBK1TTBK2EPHB4MAPKAPK5PIK3CA
SCHEMBL12618583 0.74 ATR (0.53) TTBK1TTBK2EPHB4ATRMAPKAPK5
SCHEMBL2199773 0.74 MAPKAPK5 (0.50) TTBK1TTBK2MAPKAPK5SLC2A1
SCHEMBL1044940 0.70 JAK2 (0.51) TTBK1TTBK2MAPKAPK5PIK3CAPIK3CG
SCHEMBL1043468 0.70 JAK2 (0.59) TTBK1TTBK2MAPKAPK5PIK3CAZAP70
SCHEMBL24372 0.70 JAK2 (0.55) TTBK1TTBK2EPHB4ATRPIK3CA
SCHEMBL1044232 0.68 AURKA (0.49) TTBK1TTBK2MAPKAPK5JAK2SLC2A1
SCHEMBL1045483 0.68 MAPKAPK5 (0.52) TTBK1TTBK2MAPKAPK5JAK2AXL
SCHEMBL2196472 0.68 MAPKAPK5 (0.53) MAPKAPK5

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
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed