SCHEMBL3956752

SCHEMBL3956752

Cc1cccc2nc(C(S)c3ncnc4[nH]cnc34)n(-c3ccccc3F)c(=O)c12.Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(Cl)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.62
PIK3CG P48736 8/20 0.62
PIK3R1 P27986 5/20 0.62
PIK3CB P42338 5/20 0.62
PIK3CA P42336 4/20 0.46
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL6753744 0.89 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL3956750 0.86 PIK3CD (0.65) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL734503 0.82 PIK3CG (0.49) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL733167 0.82 PIK3CD (0.86) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL733233 0.82 PIK3CD (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL733123 0.81 PIK3CD (0.88) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL733097 0.81 PIK3CD (0.70) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL733237 0.81 PIK3CG (0.51) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL734208 0.80 PIK3CD (0.88) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL360745 0.79 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018385-B1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
EP-2018386-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed