SCHEMBL31367079

SCHEMBL31367079

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

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.79
AXL P30530 4/20 0.62
MERTK Q12866 4/20 0.62

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
SCHEMBL30590287 0.94 PIK3CD (0.78) PIK3CDAXLMERTK
SCHEMBL21909924 0.94 PIK3CD (0.78) PIK3CDAXLMERTK
SCHEMBL14752107 0.94 PIK3CD (0.78) PIK3CDAXLMERTK
SCHEMBL14736080 0.94 PIK3CD (0.78) PIK3CDAXLMERTK
SCHEMBL30590254 0.93 PIK3CD (0.79) PIK3CDAXLMERTK
SCHEMBL14736720 0.93 PIK3CD (0.79) PIK3CDAXLMERTK
SCHEMBL14736051 0.93 PIK3CD (0.79) PIK3CDAXLMERTK
SCHEMBL23074523 0.91 PIK3CD (0.76) PIK3CDAXLMERTK
SCHEMBL14736596 0.91 PIK3CD (0.75) PIK3CDAXLMERTK
SCHEMBL14736505 0.91 PIK3CD (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888657-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2025-03-19 EP disclosed