SCHEMBL4404579

SCHEMBL4404579

Nc1ncc(-c2cnn(CCCC(=O)O)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MET P08581 4/20 0.39
PDK2 Q15119 5/20 0.39
KCNN4 O15554 2/20 0.39
KMT2A Q03164 1/20 0.38
NTRK1 P04629 1/20 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
SCHEMBL988133 0.90 MAPK1 (0.40) MAPK1METKCNN4
SCHEMBL984960 0.85 MET (0.41) MAPK1METPDK2KCNN4
SCHEMBL986036 0.84 MAPK1 (0.48) MAPK1METKCNN4
SCHEMBL4565882 0.84 KCNN4 (0.39) MAPK1METKCNN4
SCHEMBL982900 0.84 KCNN4 (0.39) MAPK1METKCNN4
SCHEMBL14399170 0.84 LRRK2 (0.38) MAPK1METKCNN4NTRK1
SCHEMBL982775 0.84 IKBKE (0.42) MAPK1KCNN4
SCHEMBL985945 0.84 KDR (0.40) MAPK1METKCNN4
SCHEMBL984755 0.83 MAPK1 (0.40) MAPK1SMN1; SMN2METKCNN4
SCHEMBL988541 0.83 ALOX5AP (0.43) MAPK1METPDK2KCNN4

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