SCHEMBL3735322

SCHEMBL3735322

CCCCCC=Cc1ccnc2[nH]c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.58

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
SCHEMBL3735321 1.00 ALK (0.58) ALK
SCHEMBL676198 0.89 ALK (0.66) ALK
SCHEMBL676199 0.89 ALK (0.66) ALK
SCHEMBL676639 0.86 ALK (0.56) ALK
SCHEMBL676640 0.86 ALK (0.56) ALK
SCHEMBL676628 0.86 ALK (0.45) ALK
SCHEMBL676627 0.86 ALK (0.45) ALK
SCHEMBL676224 0.86 ALK (0.47) ALK
SCHEMBL676225 0.86 ALK (0.47) ALK
SCHEMBL675901 0.84 ALK (0.50) ALK

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-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed