SCHEMBL3799028

SCHEMBL3799028

CC(C)N1CCC(c2ccc(Nc3ncc(-c4csc(OC(N)=O)c4)n4ncnc34)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.39
LCK P06239 3/20 0.39
JAK3 P52333 3/20 0.39
BTK Q06187 3/20 0.39
EGFR P00533 2/20 0.39
TTK P33981 1/20 0.36
PARP1 P09874 1/20 0.35
JAK2 O60674 7/20 0.35
PTK2 Q05397 7/20 0.35
SYK P43405 2/20 0.33
MAP4K1 Q92918 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL1476412 0.88 MAPKAPK5 (0.49) MAPKAPK5LCKJAK3BTKEGFR
SCHEMBL3795246 0.88 MAPKAPK5 (0.51) MAPKAPK5JAK3SYKTGFBR1ACVR1
SCHEMBL3804104 0.85 MAPKAPK5 (0.41) MAPKAPK5
SCHEMBL3798752 0.80 MAPKAPK5 (0.61) MAPKAPK5LCKSYK
SCHEMBL3801487 0.80 MAPKAPK5 (0.61) MAPKAPK5BTK
SCHEMBL1475927 0.79 MAPKAPK5 (0.61) MAPKAPK5LCKJAK3BTKEGFR
SCHEMBL3805490 0.79 MAPKAPK5 (0.53) MAPKAPK5PTK2SYK
SCHEMBL3802993 0.79 MAPKAPK5 (0.48) MAPKAPK5BTKJAK2PTK2SYK
SCHEMBL3794624 0.77 MAPKAPK5 (0.42) MAPKAPK5TTK
SCHEMBL3798405 0.77 MAPKAPK5 (0.50) MAPKAPK5BTKJAK2

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