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SCHEMBL4048846

SCHEMBL4048846

Cc1nn2c(=O)n(Cc3ccccc3)c(C(C(C)C)N(CCCNC(=O)OC(C)(C)C)C(=O)c3ccc(Cl)cc3)nc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.52
▸ MAP1LC3B Q9GZQ8 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PDE6D O43924 3/20 0.46
▸ KIF23 Q02241 1/20 0.44
▸ NAMPT P43490 7/20 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
SCHEMBL4049477 0.96 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4051317 0.95 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4051122 0.95 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4002023 0.94 KIF11 (0.50) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4052359 0.94 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4047520 0.93 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4054537 0.93 KIF11 (0.49) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4048203 0.92 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4048206 0.92 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4051427 0.92 KIF11 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 — — EP disclosed