SCHEMBL899653

SCHEMBL899653

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(S(=O)(=O)CCN)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3R1 P27986 20/20 1.00
PIK3CA P42336 20/20 1.00
PIK3CB P42338 15/20 1.00

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
SCHEMBL477258 0.91 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477340 0.90 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL29435009 0.90 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2816977 0.90 PIK3CD (0.98) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477387 0.90 PIK3CD (0.84) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL902989 0.90 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477262 0.90 PIK3CA (0.88) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909410 0.90 PIK3CA (0.88) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909577 0.90 PIK3CA (0.88) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2812080 0.90 PIK3CD (0.98) PIK3CDPIK3R1PIK3CAPIK3CB

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-2012044641-A1 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS INC. (US) 2012-04-05 WO disclosed