SCHEMBL4412463

SCHEMBL4412463

Nc1ncc(C2CCN(C(=O)CC3CC3)CC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.39
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GUCY1A1 Q02108 2/20 0.36
GUCY1B1 Q02153 2/20 0.36
MAPK1 P28482 7/20 0.35
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL987033 0.83 CDK9 (0.39) KCNN4MAPK1
SCHEMBL985354 0.81 KCNN4 (0.39) KCNN4MAPK1
SCHEMBL985890 0.79 PDE4B (0.42) KCNN4MAPK1
SCHEMBL986262 0.78 NAMPT (0.41) KCNN4
SCHEMBL985146 0.77 PDE4B (0.43) KCNN4RAB9AMAPK1
SCHEMBL985145 0.77 PDE4B (0.43) KCNN4RAB9AMAPK1
SCHEMBL2074816 0.77 SCN9A (0.38) KCNN4
SCHEMBL2074815 0.77 SCN9A (0.38) KCNN4
SCHEMBL985129 0.76 KCNN4 (0.42) KCNN4
SCHEMBL4404520 0.76 KCNN4 (0.36) KCNN4ALDH1A1

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