SCHEMBL20004680

SCHEMBL20004680

COc1cc2c(cc1N(O)O)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.72
SRPK2 P78362 1/20 0.55
SRPK1 Q96SB4 1/20 0.55
EML4 Q9HC35 1/20 0.55

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
SCHEMBL897269 0.87 ALK (0.76) ALKSRPK2SRPK1EML4
SCHEMBL20004657 0.87 ALK (0.63) ALKSRPK2SRPK1EML4
SCHEMBL16775671 0.86 ALK (0.78) ALKSRPK2SRPK1EML4
SCHEMBL897528 0.86 ALK (0.92) ALKSRPK2SRPK1EML4
SCHEMBL10283126 0.86 ALK (0.78) ALKSRPK2SRPK1EML4
SCHEMBL897185 0.86 ALK (0.79) ALKSRPK2SRPK1EML4
SCHEMBL1755778 0.85 ALK (0.61) ALK
SCHEMBL898201 0.85 ALK (0.76) ALKSRPK2SRPK1EML4
SCHEMBL897695 0.85 ALK (0.73) ALKSRPK2SRPK1
SCHEMBL7806692 0.85 ALK (0.72) ALKSRPK2SRPK1

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