SCHEMBL30452378

SCHEMBL30452378

COc1c(C#N)ncc(Br)c1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
SRC P12931 2/20 0.31
GPR35 Q9HC97 1/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
HPGD P15428 1/20 0.30
AGXT P21549 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL24257705 1.00 EGFR (0.32) EGFRERBB2SRCGPR35USP8
SCHEMBL26260178 0.81 AGXT (0.39) SRCUSP8USP7HPGDAGXT
SCHEMBL28025805 0.76 ALOX5AP (0.36) SRC
SCHEMBL7672194 0.74 AGXT (0.46) SRCUSP8USP7HPGDAGXT
SCHEMBL27955259 0.73 CA2 (0.34) CA2CA4AGXTHTT
SCHEMBL2238931 0.73 PLCG1 (0.36) USP8USP7CA2CA4HTT
SCHEMBL30527595 0.73 PLCG1 (0.36) USP8USP7CA2CA4HTT
SCHEMBL20704245 0.72 FYN (0.38) USP7CA2CA4AGXTHTT
SCHEMBL20704234 0.72 CA2 (0.33) CA2CA4HPGDAGXT
SCHEMBL1846308 0.70 HPGDS (0.39) EGFRERBB2USP8USP7HPGD

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
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed