SCHEMBL12517451

SCHEMBL12517451

Bc1cc(C)cc(Nc2cc(Nc3cccc(S(=O)(=O)NC)c3)ncn2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 20/20 0.78
▸ EGFR P00533 7/20 0.78

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
SCHEMBL12517883 0.92 TNNI3K (0.88) TNNI3KEGFR
SCHEMBL12517528 0.88 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL2227166 0.87 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL14323816 0.86 TNNI3K (0.80) TNNI3KEGFR
SCHEMBL12517917 0.86 TNNI3K (0.82) TNNI3KEGFR
Hydrochloric Acid SCHEMBL14322631 0.85 TNNI3K (0.79) TNNI3KEGFR
SCHEMBL12516268 0.84 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL12517918 0.84 TNNI3K (0.75) TNNI3KEGFR
Hydrochloric Acid SCHEMBL14324498 0.83 TNNI3K (0.97) TNNI3KEGFR
SCHEMBL2275752 0.83 TNNI3K (1.00) TNNI3KEGFR

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-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 — — WO disclosed
Send feedback