SCHEMBL12425473

SCHEMBL12425473

Fc1ccc2nc(NC(=C3CC3)C(F)(F)F)cn2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.51
LRRK2 Q5S007 10/20 0.38
ABL1 P00519 3/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL1318544 0.79 MAP3K5 (0.61) MAP3K5LRRK2ABL1PIK3CDPIK3CA
SCHEMBL14647252 0.79 MAP3K5 (0.54) MAP3K5LRRK2ABL1CYP11B1CYP11B2
SCHEMBL13946402 0.73 ABL1 (0.37) ABL1CYP11B1CYP11B2
SCHEMBL13946403 0.70 CYP11B2 (0.45) CYP11B1CYP11B2
SCHEMBL28842738 0.70 MAP3K5 (0.52) MAP3K5LRRK2CYP11B1CYP11B2APP
SCHEMBL3486191 0.68 MAP3K5 (1.00) MAP3K5
SCHEMBL14468041 0.65 MAP3K5 (0.60) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL1302968 0.64 MAP3K5 (0.60) MAP3K5LRRK2ABL1PIK3CDPIK3CA
SCHEMBL3137910 0.64 MAP3K5 (0.44) MAP3K5LRRK2ABL1PIK3CDPIK3CA
SCHEMBL3413291 0.62 MAP3K5 (0.55) MAP3K5LRRK2ABL1PIK3CDPIK3CA

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-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed