SCHEMBL4565882

SCHEMBL4565882

C[As](C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 11/20 0.39
LRRK2 Q5S007 1/20 0.39
MET P08581 3/20 0.37
MAPK1 P28482 5/20 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
SCHEMBL982900 0.88 KCNN4 (0.39) KCNN4LRRK2METMAPK1
SCHEMBL986036 0.88 MAPK1 (0.48) KCNN4METMAPK1
SCHEMBL985945 0.86 KDR (0.40) KCNN4LRRK2METMAPK1
SCHEMBL985718 0.86 LRRK2 (0.48) KCNN4LRRK2METMAPK1
SCHEMBL988541 0.85 ALOX5AP (0.43) KCNN4LRRK2METMAPK1
SCHEMBL14399170 0.85 LRRK2 (0.38) KCNN4LRRK2METMAPK1
SCHEMBL982775 0.84 IKBKE (0.42) KCNN4LRRK2MAPK1
SCHEMBL4404579 0.84 MAPK1 (0.40) KCNN4METMAPK1
SCHEMBL988133 0.84 MAPK1 (0.40) KCNN4LRRK2METMAPK1
SCHEMBL984960 0.83 MET (0.41) KCNN4LRRK2METMAPK1

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-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed