SCHEMBL13362129

SCHEMBL13362129

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(N5CCN(c6cccc(O)c6)CC5)cc4c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.39
▸ PIK3CA P42336 5/20 0.39
▸ PIK3CD O00329 4/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PRKDC P78527 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ATR Q13535 2/20 0.38
▸ MET P08581 2/20 0.38
▸ PIK3C2A O00443 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ NEK2 P51955 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ LIMK1 P53667 1/20 0.38

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
SCHEMBL2399620 0.89 MAP4K1 (0.40) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1558223 0.89 MAP4K1 (0.44) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1559163 0.87 PDPK1 (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1559266 0.86 CHEK1 (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1558837 0.86 LRRK2 (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2400532 0.86 PIK3CA (0.39) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1558765 0.85 MAPT (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2394510 0.85 ALDH1A1 (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2400157 0.85 ALDH1A1 (0.40) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1558615 0.84 PDPK1 (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO disclosed
WO-2009155527-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
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