Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048916

SCHEMBL4048916

SCHEMBL4048916

COc1cc2nc(C(C(C)C)N(CCCNC(=O)OC(C)(C)C)C(=O)c3ccc(C)cc3)n(Cc3ccccc3)c(=O)n2n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 15/20 0.54
▸ MAP1LC3B Q9GZQ8 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KIF23 Q02241 1/20 0.47
▸ PDE6D O43924 3/20 0.44

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
SCHEMBL4051691 0.93 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4049360 0.87 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4054101 0.87 KIF11 (0.62) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4054103 0.87 KIF11 (0.62) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Hydrochloric Acid SCHEMBL4055318 0.86 KIF11 (0.62) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13963461 0.86 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4049477 0.86 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13956773 0.85 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4056680 0.85 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13963462 0.84 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074677-A2 PYRAZOLOTRIAZINES 4SC AG (DE) 2009-06-18 — — WO disclosed
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 — — EP disclosed