SCHEMBL3046239

SCHEMBL3046239

Nc1cc(N)c(I)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21684236 0.85 PTK2 (0.41) PTK2ALDH1A1
SCHEMBL16037465 0.83 PTK2 (0.35) PTK2ALDH1A1
SCHEMBL9935799 0.83 PTK2 (0.35) PTK2ALDH1A1
SCHEMBL5507622 0.81 PTK2 (0.50) PTK2ALDH1A1
SCHEMBL16127181 0.79 CYP3A4 (0.40) PTK2ALDH1A1
SCHEMBL27246730 0.79 POLB (0.32) PTK2
SCHEMBL23830130 0.74 CA1 (0.30) PTK2
SCHEMBL15300754 0.72 KDM1A (0.32) ALDH1A1
SCHEMBL22832006 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24121182 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed