SCHEMBL18265686

SCHEMBL18265686

CCCCN1CC(c2c(C)c(C#N)cc(C(C)n3nc(C(F)F)c4c(N)ncnc43)c2OC)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.55
MERTK Q12866 4/20 0.55
PIK3CD O00329 16/20 0.53

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
SCHEMBL14736449 0.92 AXL (0.66) AXLMERTKPIK3CD
SCHEMBL29836177 0.92 AXL (0.66) AXLMERTKPIK3CD
SCHEMBL29836190 0.90 PIK3CD (0.57) AXLMERTKPIK3CD
SCHEMBL14736740 0.90 PIK3CD (0.57) AXLMERTKPIK3CD
SCHEMBL14736812 0.89 PIK3CD (0.54) AXLMERTKPIK3CD
SCHEMBL14736759 0.89 PIK3CD (0.66) AXLMERTKPIK3CD
SCHEMBL31367090 0.89 PIK3CD (0.54) AXLMERTKPIK3CD
SCHEMBL14736676 0.89 PIK3CD (0.66) AXLMERTKPIK3CD
SCHEMBL21408101 0.89 PIK3CD (0.66) AXLMERTKPIK3CD
SCHEMBL29836217 0.89 PIK3CD (0.66) 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-2751109-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed