SCHEMBL20004738

SCHEMBL20004738

C#CC(C)(C)N1CCN(c2cc3c(cc2C(C)=O)C(=O)c2c([nH]c4cc(/C=N\C)ccc24)C3(C)C)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.75
SRPK2 P78362 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
EML4 Q9HC35 1/20 0.42
KDR P35968 4/20 0.42
KIT P10721 2/20 0.42

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
SCHEMBL20004124 0.86 ALK (0.56) ALKSRPK2SRPK1EML4KDR
SCHEMBL897547 0.86 ALK (1.00) ALKSRPK2SRPK1EML4KDR
SCHEMBL20366581 0.85 ALK (0.54) ALKSRPK2SRPK1EML4KDR
SCHEMBL24675693 0.84 ALK (0.57) ALKKDRKIT
SCHEMBL21443156 0.80 ALK (0.61) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004098 0.76 ALK (0.46) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004695 0.74 ALK (0.59) ALKEML4KDRKIT
SCHEMBL21443260 0.73 ALK (0.71) ALKSRPK2SRPK1EML4KDR
SCHEMBL24676288 0.73 ALK (0.61) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004239 0.72 ALK (0.60) ALKKDRKIT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed