SCHEMBL20056882

SCHEMBL20056882

COc1cc(-c2cc(C)c3c(n2)[C@@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 17/20 0.77
▸ PRKDC P78527 1/20 0.77
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ TTK P33981 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL10142563 1.00 PIK3CG (0.77) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL19446166 1.00 PIK3CG (0.77) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL19446154 0.94 PIK3CG (0.69) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL10142710 0.93 PIK3CG (0.67) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10143064 0.93 PIK3CG (0.67) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL10143288 0.92 PIK3CG (0.65) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL10143102 0.92 PIK3CG (0.65) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL10143289 0.92 PIK3CG (0.65) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL10142701 0.92 PIK3CG (0.67) PIK3CGPRKDCPIK3CDPIK3CATTK
SCHEMBL19446349 0.92 PIK3CG (0.67) PIK3CGPRKDCPIK3CDPIK3CATTK

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
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 — — EP disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 — — EP disclosed
Send feedback