SCHEMBL3466872

SCHEMBL3466872

Nc1ncc(-c2cccc(CNC(=O)c3cc(F)cc(F)c3)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1.Nc1ncc(-c2cccc(CNC(=O)c3ccc(Br)cc3Cl)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1.Nc1ncc(-c2cccc(CNC(=O)c3ccc(Br)cc3F)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1.Nc1ncc(-c2cccc(CNC(=O)c3ccc(Cl)cc3)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1.Nc1ncc(-c2cccc(CNC(=O)c3ccc(I)cc3)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.41

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
SCHEMBL3461738 0.88 MAPK1 (0.43) MAPK1
SCHEMBL3461567 0.87 MAPK1 (0.50) MAPK1
SCHEMBL3462783 0.85 MAPK1 (0.43) MAPK1
SCHEMBL3462829 0.85 MAPK1 (0.44) MAPK1
SCHEMBL3460543 0.85 MAPK1 (0.43) MAPK1
SCHEMBL3462191 0.81 MAPK1 (0.45) MAPK1
Hydrochloric Acid SCHEMBL3460920 0.80 MAPK1 (0.44) MAPK1
SCHEMBL3466878 0.79 MAPK1 (0.33) MAPK1
SCHEMBL3879237 0.78 CHRM3 (0.37) MAPK1
SCHEMBL3462636 0.78 NTRK1 (0.44) MAPK1

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US claimed