SCHEMBL15975817

SCHEMBL15975817

CCn1cc(-c2nn3c(-c4cnc(N)c(C(C)(F)F)c4)cnc3s2)cn1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.87
LRRK2 Q5S007 1/20 0.39
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MAP3K12 Q12852 3/20 0.35
KIT P10721 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
CDK7 P50613 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIM3 Q86V86 1/20 0.33
HASPIN Q8TF76 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL532090 0.93 PIK3CA (1.00) PIK3CALRRK2PIK3CDPIK3CBPI4KA
SCHEMBL15975842 0.80 PIK3CA (0.86) PIK3CAPIK3CDPIK3CBPIK3CGKIT
SCHEMBL15975821 0.79 PIK3CA (0.86) PIK3CA
SCHEMBL532091 0.77 PIK3CA (0.71) PIK3CALRRK2MAP3K12
SCHEMBL15975843 0.77 PIK3CA (0.87) PIK3CA
SCHEMBL15975829 0.76 PIK3CA (0.61) PIK3CA
SCHEMBL15975813 0.76 PIK3CA (0.71) PIK3CA
SCHEMBL15975816 0.75 PIK3CA (0.63) PIK3CA
SCHEMBL15975814 0.74 PIK3CA (0.59) PIK3CAKITPIM1FLT3CDK7
SCHEMBL15975841 0.74 PIK3CA (0.88) PIK3CAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed