Sugi Predict

Sugi Predict / Compounds / SCHEMBL2376594

SCHEMBL2376594

SCHEMBL2376594

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3cccc(NC(=O)N4CCN(C)CC4)c3)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.57
▸ PIK3R1 P27986 6/20 0.48

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
SCHEMBL2377886 0.90 PIK3CA (0.72) PIK3CAPIK3R1
SCHEMBL2376592 0.89 PIK3CA (0.58) PIK3CAPIK3R1
SCHEMBL2377536 0.88 PIK3CA (0.57) PIK3CAPIK3R1
SCHEMBL2379089 0.87 PIK3CA (0.49) PIK3CAPIK3R1
SCHEMBL2379003 0.87 PIK3CA (0.58) PIK3CAPIK3R1
SCHEMBL2378397 0.86 PIK3CA (0.67) PIK3CAPIK3R1
SCHEMBL3230836 0.86 PIK3CA (0.60) PIK3CAPIK3R1
SCHEMBL2375753 0.86 PIK3CA (0.58) PIK3CAPIK3R1
SCHEMBL2379299 0.86 PIK3CA (0.63) PIK3CAPIK3R1
SCHEMBL2379443 0.86 PIK3CA (0.72) PIK3CAPIK3R1

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
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed