SCHEMBL17235656

SCHEMBL17235656

CC(Nc1nc(N)ncc1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.72
PIK3R1 P27986 1/20 0.72
PIK3R2 O00459 13/20 0.66
PIK3CG P48736 2/20 0.63

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
SCHEMBL17235650 0.99 PIK3CD (0.71) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17235572 0.97 PIK3CD (0.72) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17234999 0.97 PIK3CD (0.72) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17235624 0.97 PIK3CD (0.72) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17235645 0.87 PIK3CD (0.78) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17235340 0.87 PIK3CD (0.78) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17235190 0.87 PIK3CD (0.78) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL14729926 0.85 PIK3CD (0.59) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL17234984 0.85 PIK3CD (0.77) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL14729953 0.85 PIK3CD (0.58) PIK3CDPIK3R1PIK3R2PIK3CG

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
WO-2015168079-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2015-11-05 WO disclosed