SCHEMBL3798752

SCHEMBL3798752

CN1CCN(c2ccc(Nc3ncc(-c4csc(OC(N)=O)c4)n4ncnc34)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 12/20 0.61
KDM1A O60341 2/20 0.41
INSR P06213 1/20 0.40
ALK Q9UM73 1/20 0.40
SLC2A1 P11166 1/20 0.39
SYK P43405 1/20 0.39
BRD4 O60885 1/20 0.39
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 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 0.92 MAPKAPK5 (0.61) MAPKAPK5
SCHEMBL3795246 0.91 MAPKAPK5 (0.51) MAPKAPK5ALKSYK
SCHEMBL3805490 0.90 MAPKAPK5 (0.53) MAPKAPK5SYK
SCHEMBL3802993 0.88 MAPKAPK5 (0.48) MAPKAPK5SYK
SCHEMBL3801248 0.88 MAPKAPK5 (0.47) MAPKAPK5SYKMAP4K4
SCHEMBL1476556 0.87 MAPKAPK5 (0.64) MAPKAPK5KDM1AINSRALKSLC2A1
SCHEMBL3799041 0.86 MAPKAPK5 (0.57) MAPKAPK5KDM1AINSRALKSLC2A1
SCHEMBL3794624 0.83 MAPKAPK5 (0.42) MAPKAPK5
SCHEMBL3798405 0.83 MAPKAPK5 (0.50) MAPKAPK5MAP4K4
SCHEMBL3804104 0.82 MAPKAPK5 (0.41) 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