SCHEMBL626289

SCHEMBL626289

Nc1ncc(-c2cn3nc(NCCN4CCNCC4)sc3n2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.42
MAP3K12 Q12852 11/20 0.39
KCNH2 Q12809 1/20 0.39
F2RL3 Q96RI0 1/20 0.37
CYP3A4 P08684 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL626269 0.84 F2RL3 (0.44) PIK3CAMAP3K12F2RL3CYP3A4
SCHEMBL626288 0.84 PIK3CA (0.51) PIK3CAKCNH2FYN
SCHEMBL626702 0.83 MAP3K12 (0.43) PIK3CAMAP3K12F2RL3
SCHEMBL626145 0.82 F2RL3 (0.43) PIK3CAMAP3K12F2RL3CYP3A4
SCHEMBL625236 0.80 MAP3K12 (0.45) PIK3CAMAP3K12
SCHEMBL624389 0.80 MAP3K12 (0.43) PIK3CAMAP3K12F2RL3
SCHEMBL625673 0.79 MAP3K12 (0.48) PIK3CAMAP3K12F2RL3
SCHEMBL12474086 0.79 PIK3CA (0.47) PIK3CAMAP3K12F2RL3CYP3A4
SCHEMBL624442 0.79 PIK3CA (0.44) PIK3CAMAP3K12F2RL3CYP3A4
SCHEMBL626299 0.77 PIK3CA (0.47) PIK3CAMAP3K12F2RL3CYP3A4

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