SCHEMBL2817385

SCHEMBL2817385

OCCCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.84
PIK3CA P42336 14/20 0.84
PIK3CD O00329 13/20 0.84
PIK3R1 P27986 12/20 0.84
PIK3CG P48736 1/20 0.59

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
SCHEMBL2818070 0.91 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3569964 0.87 PIK3CB (0.83) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL2816007 0.86 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3568141 0.84 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477288 0.84 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2812275 0.82 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2819585 0.81 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2954940 0.81 PIK3CB (0.79) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2956479 0.81 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2814733 0.81 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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-2010110686-A1 PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed