SCHEMBL985354

SCHEMBL985354

Nc1ncc(C2CC3CN(C(=O)O)CC3C2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 18/20 0.39
MAPK1 P28482 2/20 0.32

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
SCHEMBL2074815 0.88 SCN9A (0.38) KCNN4
SCHEMBL2074816 0.88 SCN9A (0.38) KCNN4
SCHEMBL985129 0.85 KCNN4 (0.42) KCNN4
SCHEMBL4412463 0.81 KCNN4 (0.39) KCNN4MAPK1
SCHEMBL985675 0.76 CCNT1 (0.37) KCNN4
SCHEMBL985145 0.75 PDE4B (0.43) KCNN4MAPK1
SCHEMBL985146 0.75 PDE4B (0.43) KCNN4MAPK1
SCHEMBL986040 0.75 KCNN4 (0.40) KCNN4MAPK1
SCHEMBL987228 0.74 KCNN4 (0.35) KCNN4
SCHEMBL13593420 0.74 KCNN4 (0.49) KCNN4

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
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed