SCHEMBL15976340

SCHEMBL15976340

COc1cc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)c(C)nc3s2)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.37
AXL P30530 1/20 0.36
CFTR P13569 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL532071 0.92 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL3512900 0.86 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGATM
SCHEMBL532283 0.85 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL3513424 0.84 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGATM
SCHEMBL532165 0.83 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL532072 0.82 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL12988788 0.81 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGATM
SCHEMBL532397 0.81 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15975808 0.81 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGLMNA
SCHEMBL533077 0.80 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CG

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-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed