SCHEMBL3437152

SCHEMBL3437152

COc1ncc(C(=O)N2CCOCC2Cc2cn(C)c3ccc(C(=O)N(C)C)cc23)s1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C2A O00443 1/20 0.54
PIK3C2B O00750 1/20 0.54
LRRK2 Q5S007 1/20 0.35
HCRTR1 O43613 16/20 0.35
HCRTR2 O43614 16/20 0.35
CYP3A4 P08684 11/20 0.35
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
GSK3B P49841 2/20 0.33

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
SCHEMBL3436414 0.82 PIK3C2A (0.55) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3436521 0.79 PIK3C2A (0.52) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3435893 0.78 PIK3C2A (0.54) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3433906 0.76 PIK3C2A (0.41) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2
SCHEMBL3433338 0.75 PIK3C2A (0.41) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2
SCHEMBL3433343 0.75 PIK3C2A (0.41) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2
SCHEMBL3431129 0.74 PIK3C2A (0.43) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL945486 0.72 PIK3C2A (0.81) PIK3C2APIK3C2B
SCHEMBL14802016 0.71 PIK3C2A (0.81) PIK3C2APIK3C2B
SCHEMBL3435552 0.71 PIK3C2A (0.40) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2

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
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed