SCHEMBL626582

SCHEMBL626582

CCNC(=O)N1CCC(CNc2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.42
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ MAP3K12 Q12852 11/20 0.40
▸ SCD O00767 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL625673 0.87 MAP3K12 (0.48) PIK3CAMAP3K12
SCHEMBL624985 0.87 KDM4E (0.40) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL626581 0.86 FYN (0.47) PIK3CAPIK3CDPIK3CBPIK3CGSCD
SCHEMBL627611 0.84 MAP3K12 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL626702 0.84 MAP3K12 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL626135 0.84 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL626299 0.81 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL624042 0.79 PIM1 (0.48) —
SCHEMBL627328 0.79 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL624428 0.78 MAP3K12 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12

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
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 — — WO disclosed
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