SCHEMBL21183249

SCHEMBL21183249

CCOc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(CC)c(C)c1C1CN(CCO)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.62
MERTK Q12866 2/20 0.62
PIK3CD O00329 18/20 0.59
KCNH2 Q12809 1/20 0.54

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
SCHEMBL14752198 0.90 AXL (0.71) AXLMERTKPIK3CDKCNH2
SCHEMBL30590258 0.90 AXL (0.71) AXLMERTKPIK3CDKCNH2
Trifluoroacetic Acid SCHEMBL14736623 0.85 PIK3CD (0.65) AXLMERTKPIK3CDKCNH2
SCHEMBL29836131 0.85 PIK3CD (0.71) AXLMERTKPIK3CDKCNH2
SCHEMBL14737302 0.85 PIK3CD (0.71) AXLMERTKPIK3CDKCNH2
SCHEMBL14736877 0.84 AXL (0.75) AXLMERTKPIK3CDKCNH2
SCHEMBL14736418 0.83 AXL (0.81) AXLMERTKPIK3CD
SCHEMBL14736612 0.83 AXL (0.88) AXLMERTKPIK3CDKCNH2
SCHEMBL31367086 0.83 PIK3CD (0.72) AXLMERTKPIK3CDKCNH2
SCHEMBL23893256 0.82 PIK3CD (0.61) AXLMERTKPIK3CD

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-3513793-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2019-07-24 EP disclosed