SCHEMBL4036723

SCHEMBL4036723

NC(=O)c1cc(C2CCOCC2)n2c1CN(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 13/20 0.39
CREBBP Q92793 5/20 0.33
PARP1 P09874 1/20 0.32
CSNK1D P48730 1/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 2/20 0.32

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
SCHEMBL30047 0.91 CSNK1E (0.36) CSNK1ECSNK1D
SCHEMBL4039629 0.83 USP2 (0.40) CSNK1EPARP1
SCHEMBL31481 0.74 NR1H2 (0.42) CSNK1EPARP1CSNK1D
SCHEMBL29749 0.73 CSNK1E (0.36) CSNK1E
SCHEMBL14841682 0.69 CREBBP (0.35) CSNK1ECREBBPBRD4
SCHEMBL4044886 0.64 CSNK1E (0.36) CSNK1ECREBBPCSNK1DBRD4
SCHEMBL21404587 0.63 CREBBP (0.41) CREBBPBRD4
SCHEMBL31023140 0.62 CREBBP (0.42) CREBBPBRD4
SCHEMBL15891149 0.62 CSNK1E (0.36) CSNK1ECSNK1D
SCHEMBL1937498 0.62 POLB (0.32)

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed