SCHEMBL16542373

SCHEMBL16542373

COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4cccc(N5C=CCC5)c4)C3)n2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.80
▸ IGF1R P08069 14/20 0.80

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
SCHEMBL12184941 0.90 ALK (0.82) ALKIGF1R
SCHEMBL15022214 0.90 ALK (0.82) ALKIGF1R
SCHEMBL15022358 0.89 ALK (1.00) ALKIGF1R
SCHEMBL12184939 0.89 ALK (1.00) ALKIGF1R
SCHEMBL15022238 0.89 ALK (0.89) ALKIGF1R
SCHEMBL15023219 0.89 ALK (1.00) ALKIGF1R
SCHEMBL12185031 0.89 ALK (0.89) ALKIGF1R
SCHEMBL15023221 0.89 ALK (1.00) ALKIGF1R
SCHEMBL15022479 0.89 ALK (1.00) ALKIGF1R
SCHEMBL12185006 0.89 ALK (1.00) ALKIGF1R

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-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 — — EP disclosed
Send feedback