SCHEMBL3794145

SCHEMBL3794145

CC(C)N1CCN(c2ccc(Nc3ncc(-c4csc(OC(N)=O)n4)n4ncnc34)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 11/20 0.48
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
EGFR P00533 3/20 0.36
SYK P43405 2/20 0.35
F12 P00748 2/20 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
SCHEMBL3800406 0.92 MAPKAPK5 (0.46) MAPKAPK5CDK4CCND1EGFR
SCHEMBL3801156 0.90 MAPKAPK5 (0.58) MAPKAPK5SYK
SCHEMBL1477934 0.88 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1SYK
SCHEMBL3795246 0.85 MAPKAPK5 (0.51) MAPKAPK5CDK4CCND1SYK
SCHEMBL2218510 0.84 MAPKAPK5 (0.47) MAPKAPK5EGFR
SCHEMBL3797919 0.82 MAPKAPK5 (0.51) MAPKAPK5CDK4CCND1SYK
SCHEMBL3800071 0.82 MAPKAPK5 (0.56) MAPKAPK5EGFR
SCHEMBL3802995 0.81 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1SYKF12
SCHEMBL1476500 0.81 MAPKAPK5 (0.61) MAPKAPK5CDK4CCND1SYK
SCHEMBL3794137 0.81 MAPKAPK5 (0.43) MAPKAPK5CDK4CCND1

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