SCHEMBL20004328

SCHEMBL20004328

CCNCCOc1cc2c(cc1OC(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.70
SRPK2 P78362 1/20 0.52
SRPK1 Q96SB4 1/20 0.52
EML4 Q9HC35 1/20 0.52

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
SCHEMBL29962694 0.88 ALK (0.74) ALK
SCHEMBL898373 0.88 ALK (0.74) ALK
SCHEMBL29962169 0.87 ALK (0.77) ALKSRPK2SRPK1EML4
SCHEMBL898223 0.87 ALK (0.77) ALKSRPK2SRPK1EML4
SCHEMBL18245231 0.87 ALK (0.70) ALKSRPK2SRPK1EML4
SCHEMBL897611 0.84 ALK (0.81) ALKSRPK2SRPK1EML4
SCHEMBL897430 0.83 ALK (0.82) ALK
SCHEMBL897320 0.82 ALK (1.00) ALKSRPK2SRPK1EML4
SCHEMBL29962735 0.82 ALK (1.00) ALKSRPK2SRPK1EML4
SCHEMBL20366684 0.82 ALK (0.67) ALKSRPK2SRPK1EML4

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed