SCHEMBL14368591

SCHEMBL14368591

COc1cc(Nc2ncc(-c3csc(C(N)=O)c3)n3ncnc23)ccc1C(=O)NCC1=CNC(C)C=C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.39
SYK P43405 4/20 0.32
PTK6 Q13882 1/20 0.32
AURKB Q96GD4 1/20 0.32
RET P07949 2/20 0.31
TNF P01375 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
BTK Q06187 3/20 0.30
MAPT P10636 1/20 0.30
PTK2 Q05397 1/20 0.30
CD38 P28907 1/20 0.30
MAPK1 P28482 1/20 0.30
EGFR P00533 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
SCHEMBL2219824 0.85 RET (0.43) MAPKAPK5RETBTKMAPTMAPK1
SCHEMBL3797299 0.76 POLB (0.42) RETBTKMAPTMAPK1EGFR
SCHEMBL13918176 0.74 POLB (0.40) RETBTKMAPTMAPK1EGFR
SCHEMBL3802954 0.74 ALDH1A1 (0.35) SYKPTK6AURKBRETBTK
SCHEMBL10169559 0.74 MAPKAPK5 (0.54) MAPKAPK5SYKRETMAPT
SCHEMBL13918219 0.73 BTK (0.35) MAPKAPK5PTK6AURKBBTKMAPT
SCHEMBL1477791 0.72 ROCK2 (0.50) MAPKAPK5PTK6AURKB
SCHEMBL1674336 0.72 MAPKAPK5 (0.52) MAPKAPK5SYKPTK6AURKBRET
SCHEMBL1476816 0.70 MAPKAPK5 (0.46) MAPKAPK5PTK6AURKB
SCHEMBL12515799 0.69 MAPKAPK5 (0.51) MAPKAPK5SYKCD38

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-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed