SCHEMBL626700

SCHEMBL626700

Nc1ncc(-c2cnc3sc(C(N)C4CCNCC4)nn23)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.52
MAP3K12 Q12852 10/20 0.39

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
SCHEMBL626170 0.83 PIK3CA (0.53) PIK3CAMAP3K12
SCHEMBL625674 0.82 PIK3CA (0.50) PIK3CAMAP3K12
SCHEMBL625189 0.81 PIK3CA (0.46) PIK3CAMAP3K12
SCHEMBL625653 0.80 PIK3CA (0.54) PIK3CAMAP3K12
SCHEMBL625235 0.80 FYN (0.52) PIK3CA
SCHEMBL626579 0.79 PIK3CA (0.56) PIK3CAMAP3K12
SCHEMBL626701 0.78 MKNK1 (0.52) PIK3CA
SCHEMBL625652 0.78 PIK3CA (0.49) PIK3CAMAP3K12
SCHEMBL624388 0.78 PIK3CA (0.55) PIK3CAMAP3K12
SCHEMBL625434 0.75 PIK3CA (0.50) PIK3CAMAP3K12

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