SCHEMBL23065007

SCHEMBL23065007

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.75
AXL P30530 3/20 0.75
MERTK Q12866 3/20 0.75
KCNH2 Q12809 1/20 0.50

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
SCHEMBL14736885 1.00 PIK3CD (0.75) PIK3CDAXLMERTKKCNH2
SCHEMBL30590245 0.94 PIK3CD (0.85) PIK3CDAXLMERTK
SCHEMBL14736220 0.94 PIK3CD (0.85) PIK3CDAXLMERTK
SCHEMBL23879386 0.94 PIK3CD (0.85) PIK3CDAXLMERTK
SCHEMBL14736887 0.92 PIK3CD (0.88) PIK3CDAXLMERTKKCNH2
SCHEMBL14736782 0.92 PIK3CD (0.88) PIK3CDAXLMERTKKCNH2
SCHEMBL14736877 0.90 AXL (0.75) PIK3CDAXLMERTKKCNH2
SCHEMBL14736518 0.89 PIK3CD (0.64) PIK3CDAXLMERTKKCNH2
SCHEMBL14736054 0.89 PIK3CD (0.60) PIK3CDAXLMERTKKCNH2
SCHEMBL14736714 0.88 PIK3CD (0.68) PIK3CDAXLMERTKKCNH2

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-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2021-03-10 EP disclosed