SCHEMBL4248271

SCHEMBL4248271

Cc1nn2c(=O)n(Cc3ccccc3)c([C@@H](C(C)C)N(CCCNC(=O)OC(C)(C)C)C(=O)c3ccc(Cl)cc3)cc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.47
MAP1LC3B Q9GZQ8 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE6D O43924 3/20 0.41
KIF23 Q02241 1/20 0.39
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
SCHEMBL4249025 0.95 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4248841 0.95 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4249023 0.95 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4251900 0.94 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4252363 0.93 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4254486 0.93 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4246754 0.93 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4248959 0.93 KIF11 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4252635 0.91 KIF11 (0.54) KIF11
SCHEMBL4248040 0.91 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