SCHEMBL533129

SCHEMBL533129

CS(=O)(=O)c1cccc(-c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.71
CA12 O43570 9/20 0.46
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA9 Q16790 9/20 0.46
TP53 P04637 1/20 0.42
TNF P01375 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
SCHEMBL2121280 0.88 PIK3CA (0.57) PIK3CACA12CA1CA2CA9
SCHEMBL452469 0.87 PIK3CA (0.73) PIK3CACA12CA1CA2CA9
SCHEMBL532184 0.85 PIK3CA (0.75) PIK3CACA12CA1CA2CA9
SCHEMBL532669 0.85 PIK3CA (0.54) PIK3CACA12CA1CA2CA9
SCHEMBL533328 0.83 PIK3CA (0.49) PIK3CACA12CA1CA2CA9
SCHEMBL2121698 0.83 PIK3CA (0.49) PIK3CACA12CA1CA2CA9
SCHEMBL2120594 0.83 PIK3CA (0.56) PIK3CACA12CA1CA2CA9
SCHEMBL533128 0.83 PIK3CA (1.00) PIK3CATNF
SCHEMBL532104 0.82 PIK3CA (0.55) PIK3CA
SCHEMBL532239 0.81 ALPL (0.48) PIK3CACA12CA1CA2CA9

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 4 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
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 WO disclosed