SCHEMBL14745910

SCHEMBL14745910

COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(C)c(C#N)c1C1CN(C(=O)O)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.66
AXL P30530 4/20 0.66
MERTK Q12866 4/20 0.66

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
SCHEMBL14736419 0.92 PIK3CD (0.78) PIK3CDAXLMERTK
SCHEMBL14736087 0.91 PIK3CD (0.62) PIK3CDAXLMERTK
SCHEMBL14736220 0.87 PIK3CD (0.85) PIK3CDAXLMERTK
SCHEMBL30590245 0.87 PIK3CD (0.85) PIK3CDAXLMERTK
SCHEMBL14754022 0.87 AXL (0.85) PIK3CDAXLMERTK
SCHEMBL23879386 0.87 PIK3CD (0.85) PIK3CDAXLMERTK
SCHEMBL15996115 0.87 PIK3CD (0.65) PIK3CDAXLMERTK
SCHEMBL14736663 0.87 PIK3CD (0.65) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL14736381 0.86 PIK3CD (0.59) PIK3CDAXLMERTK
SCHEMBL14736912 0.86 PIK3CD (0.68) PIK3CDAXLMERTK

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-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed