SCHEMBL626269

SCHEMBL626269

NCCNc1nn2cc(-c3cnc(N)c(C(F)(F)F)c3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.44
PIK3CA P42336 9/20 0.44
MAP3K12 Q12852 10/20 0.42
CYP3A4 P08684 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
PI4KB Q9UBF8 1/20 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
SCHEMBL626145 0.94 F2RL3 (0.43) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL12474086 0.86 PIK3CA (0.47) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL624442 0.86 PIK3CA (0.44) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL626289 0.84 PIK3CA (0.42) F2RL3PIK3CAMAP3K12CYP3A4
SCHEMBL626299 0.84 PIK3CA (0.47) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL626625 0.84 PIK3CA (0.43) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL625400 0.83 PIK3CA (0.43) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL626774 0.81 PIK3CA (0.42) F2RL3PIK3CAMAP3K12CYP3A4PIK3CD
SCHEMBL627611 0.81 MAP3K12 (0.43) F2RL3PIK3CAMAP3K12PIK3CDPIK3CB
SCHEMBL626702 0.81 MAP3K12 (0.43) F2RL3PIK3CAMAP3K12PIK3CDPIK3CB

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