SCHEMBL15032139

SCHEMBL15032139

COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 12/20 0.64
▸ PRKDC P78527 1/20 0.64
▸ TTK P33981 2/20 0.34
▸ PIM1 P11309 2/20 0.31
▸ PIM3 Q86V86 2/20 0.31
▸ PIM2 Q9P1W9 2/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL10143289 0.92 PIK3CG (0.65) PIK3CGPRKDCTTKSIK2ADORA2A
SCHEMBL10143102 0.92 PIK3CG (0.65) PIK3CGPRKDCTTKSIK2ADORA2A
SCHEMBL10143288 0.92 PIK3CG (0.65) PIK3CGPRKDCTTKSIK2ADORA2A
SCHEMBL10142563 0.91 PIK3CG (0.77) PIK3CGPRKDCTTKADORA2AADORA2B
SCHEMBL20056882 0.91 PIK3CG (0.77) PIK3CGPRKDCTTKADORA2AADORA2B
SCHEMBL19446166 0.91 PIK3CG (0.77) PIK3CGPRKDCTTKADORA2AADORA2B
SCHEMBL19446154 0.89 PIK3CG (0.69) PIK3CGPRKDCTTKADORA2AADORA2B
SCHEMBL19446223 0.88 PIK3CG (0.63) PIK3CGPRKDCTTKPIM1PIM3
SCHEMBL10143064 0.87 PIK3CG (0.67) PIK3CGPRKDCTTKADORA2AADORA2B
SCHEMBL10143098 0.87 PIK3CG (0.83) PIK3CGPRKDCTTKPIM1PIM3

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-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — US disclosed
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