SCHEMBL3799146

SCHEMBL3799146

NC(=O)Oc1coc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 15/20 0.57
STAT6 P42226 1/20 0.39
FYN P06241 1/20 0.39
BTK Q06187 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL3793107 0.90 MAPKAPK5 (0.48) MAPKAPK5STAT6SYK
SCHEMBL1476797 0.88 MAPKAPK5 (0.73) MAPKAPK5MAPK8MAPK9MAPK10SYK
SCHEMBL3803503 0.85 MAPKAPK5 (0.62) MAPKAPK5FYNBTKMAPK8MAPK9
SCHEMBL12443286 0.82 MAPKAPK5 (0.65) MAPKAPK5STAT6SYK
SCHEMBL3801487 0.81 MAPKAPK5 (0.61) MAPKAPK5FYNBTKMAPK8MAPK9
SCHEMBL1476692 0.81 MAPKAPK5 (0.73) MAPKAPK5STAT6FYNBTKMAPK8
SCHEMBL3803496 0.80 MAPKAPK5 (0.60) MAPKAPK5MAPK8MAPK9MAPK10SYK
SCHEMBL12443296 0.80 MAPKAPK5 (0.63) MAPKAPK5SYK
SCHEMBL13031707 0.80 MAPKAPK5 (0.63) MAPKAPK5STAT6SYK
SCHEMBL3801156 0.79 MAPKAPK5 (0.58) MAPKAPK5MAPK8MAPK9MAPK10SYK

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-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed