SCHEMBL16308151

SCHEMBL16308151

CN(C)CC(=O)N[C@@H]1CCC[C@H](Nc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.68
PIK3CB P42338 19/20 0.57
PIK3CA P42336 12/20 0.57
PIK3CG P48736 9/20 0.49
PIK3R1 P27986 2/20 0.49

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
SCHEMBL16308140 1.00 PIK3CD (0.68) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL9949747 0.93 PIK3CD (0.78) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
Hydrochloric Acid SCHEMBL9950290 0.92 PIK3CD (0.77) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15029794 0.88 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL16308142 0.86 PIK3CB (0.54) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL16308181 0.86 PIK3CB (0.54) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15029698 0.85 PIK3CB (0.59) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL17529134 0.85 PIK3CD (0.56) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL17529133 0.84 PIK3CB (0.57) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL9951230 0.84 PIK3CD (0.65) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1

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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed