SCHEMBL3733722

SCHEMBL3733722

CCCCCc1ccnc2[nH]c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.48
UTS2R Q9UKP6 3/20 0.45

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
SCHEMBL3719653 0.87 ALK (0.54) ALKUTS2R
SCHEMBL675731 0.87 ALK (0.45) ALK
SCHEMBL3724301 0.84 ALK (0.49) ALKUTS2R
SCHEMBL3723800 0.84 CNR2 (0.43) ALKUTS2R
SCHEMBL3727396 0.83 ALK (0.47) ALKUTS2R
SCHEMBL3727398 0.83 ALK (0.47) ALKUTS2R
SCHEMBL3727917 0.82 MAOA (0.44) ALKUTS2R
SCHEMBL3725266 0.81 ALK (0.40) ALKUTS2R
SCHEMBL3723321 0.80 ALK (0.50) ALK
SCHEMBL3735322 0.79 ALK (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
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