SCHEMBL3798405

SCHEMBL3798405

NC(=O)Oc1cc(-c2cnc(Nc3ccc(N4CCOCC4)nc3)c3ncnn23)cs1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 11/20 0.50
BTK Q06187 3/20 0.41
PTK6 Q13882 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.38
MAP4K4 O95819 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 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
SCHEMBL3801487 0.91 MAPKAPK5 (0.61) MAPKAPK5BTKNPC1RAB9A
SCHEMBL3804104 0.89 MAPKAPK5 (0.41) MAPKAPK5
SCHEMBL3803732 0.88 MAPKAPK5 (0.38) MAPKAPK5BTKJAK2JAK1KCNH2
SCHEMBL1475246 0.88 MAPKAPK5 (0.62) MAPKAPK5BTKPTK6JAK2JAK1
SCHEMBL3796304 0.87 MAPKAPK5 (0.38) MAPKAPK5BTKJAK2JAK1KCNH2
SCHEMBL3798987 0.86 MAPKAPK5 (0.51) MAPKAPK5BTKPTK6JAK2JAK1
SCHEMBL13918288 0.84 MAPKAPK5 (0.53) MAPKAPK5BTKPTK6JAK1NPC1
SCHEMBL3801252 0.84 MAPKAPK5 (0.47) MAPKAPK5JAK2
SCHEMBL3798752 0.83 MAPKAPK5 (0.61) MAPKAPK5MAP4K4
SCHEMBL3805490 0.83 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
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed