SCHEMBL3683685

SCHEMBL3683685

CCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.81
PIK3CA P42336 12/20 0.81
PIK3CD O00329 10/20 0.81
PIK3CG P48736 6/20 0.81
PIK3CB P42338 5/20 0.81
PRKDC P78527 3/20 0.81
ATM Q13315 3/20 0.81
PIK3C2A O00443 2/20 0.81
PIK3C2B O00750 2/20 0.81
ATR Q13535 2/20 0.81
CHEK1 O14757 1/20 0.81
ABCB11 O95342 1/20 0.81
CSF1R P07333 1/20 0.81
MET P08581 1/20 0.81
PIK3R1 P27986 1/20 0.81
LTK P29376 1/20 0.81
CDK7 P50613 1/20 0.81
NEK2 P51955 1/20 0.81
JAK3 P52333 1/20 0.81
LIMK1 P53667 1/20 0.81

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
Dactolisib SCHEMBL30186162 0.90 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL2424463 0.90 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL29370906 0.90 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL143623 0.90 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL928053 0.86 PIK3CA (0.61) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747813 0.85 MTOR (0.89) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL927324 0.84 MTOR (0.82) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL9277667 0.84 MTOR (0.81) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL9905064 0.83 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL928021 0.83 MTOR (0.87) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3024456-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE Update Pharma Inc. (US) 2016-06-01 EP disclosed
EP-3024457-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE Update Pharma Inc. (US) 2016-06-01 EP disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
WO-2015013581-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
EP-2182948-A1 USE OF IMIDAZOQUINOLINES FOR THE TREATMENT OF EGFR DEPENDENT DISEASES OR DISEASES THAT HAVE ACQUIRED RESISTANCE TO AGENTS THAT TARGET EGFR FAMILY MEMBERS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013305-A1 USE OF IMIDAZOQUINOLINES FOR THE TREATMENT OF EGFR DEPENDENT DISEASES OR DISEASES THAT HAVE ACQUIRED RESISTANCE TO AGENTS THAT TARGET EGFR FAMILY MEMBERS NOVARTIS AG (CH) 2009-01-29 WO disclosed