SCHEMBL4253760

SCHEMBL4253760

CC[C@H](C)[C@@H](c1cc2c(Cl)c(C)nn2c(=O)n1Cc1ccccc1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.49
MAP1LC3B Q9GZQ8 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE6D O43924 3/20 0.38
BRD4 O60885 1/20 0.36

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
SCHEMBL4245642 0.95 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4252759 0.95 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4251340 0.94 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4254486 0.94 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4246754 0.94 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4251488 0.94 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4255886 0.91 KIF11 (0.55) KIF11
SCHEMBL4255892 0.91 KIF11 (0.55) KIF11
SCHEMBL4256007 0.89 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4252601 0.89 KIF11 (0.47) 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
EP-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 EP disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 WO disclosed