SCHEMBL3801487

SCHEMBL3801487

NC(=O)Oc1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cs1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 15/20 0.61
FYN P06241 1/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
BTK Q06187 1/20 0.39
AURKA O14965 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 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
SCHEMBL3805490 0.92 MAPKAPK5 (0.53) MAPKAPK5
SCHEMBL3798752 0.92 MAPKAPK5 (0.61) MAPKAPK5
SCHEMBL3798405 0.91 MAPKAPK5 (0.50) MAPKAPK5NPC1RAB9ABTK
SCHEMBL3795246 0.90 MAPKAPK5 (0.51) MAPKAPK5
SCHEMBL3802993 0.88 MAPKAPK5 (0.48) MAPKAPK5BTK
SCHEMBL3801248 0.88 MAPKAPK5 (0.47) MAPKAPK5
SCHEMBL3801252 0.88 MAPKAPK5 (0.47) MAPKAPK5
SCHEMBL1476125 0.87 MAPKAPK5 (0.75) MAPKAPK5FYNMAPK8MAPK9MAPK10
SCHEMBL3803503 0.85 MAPKAPK5 (0.62) MAPKAPK5FYNMAPTBTKMAPK8
SCHEMBL3803496 0.85 MAPKAPK5 (0.60) MAPKAPK5NPC1POLBMAPTRAB9A

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