SCHEMBL3726313

SCHEMBL3726313

CCCCCC=Cc1ccnc2[nH]c3ccc(-c4ccc(N5CCOCC5)cn4)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.50

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
SCHEMBL3726310 1.00 ALK (0.50) ALK
SCHEMBL3724510 0.85 CHEK1 (0.45) ALK
SCHEMBL3724508 0.85 CHEK1 (0.45) ALK
SCHEMBL3724154 0.84 ALK (0.47) ALK
SCHEMBL676021 0.84 MAPT (0.40) ALK
SCHEMBL676020 0.84 MAPT (0.40) ALK
SCHEMBL676734 0.81 ALK (0.49) ALK
SCHEMBL676735 0.81 ALK (0.49) ALK
SCHEMBL676470 0.80 ALK (0.45) ALK
SCHEMBL675294 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