SCHEMBL3797919

SCHEMBL3797919

CC(C)N1CCN(c2ccc(Nc3ncc(-c4coc(OC(N)=O)c4)n4ncnc34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 14/20 0.51
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
FYN P06241 1/20 0.35
ALK Q9UM73 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL3803503 0.90 MAPKAPK5 (0.62) MAPKAPK5FYN
SCHEMBL1476062 0.88 MAPKAPK5 (0.60) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3793107 0.87 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3795246 0.86 MAPKAPK5 (0.51) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3802995 0.84 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL2219606 0.83 MAPKAPK5 (0.60) MAPKAPK5CDK4CCND1SYK
SCHEMBL3794145 0.82 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1SYK
SCHEMBL1476500 0.82 MAPKAPK5 (0.61) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL2223283 0.82 MAPKAPK5 (0.53) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3798987 0.82 MAPKAPK5 (0.51) 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