SCHEMBL20004578

SCHEMBL20004578

CN(C)SN1CCN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.77
KIT P10721 2/20 0.70
KDR P35968 2/20 0.70

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
SCHEMBL20004173 0.90 ALK (0.81) ALKKITKDR
SCHEMBL20004623 0.90 ALK (0.80) ALKKITKDR
SCHEMBL897257 0.87 ALK (1.00) ALKKITKDR
SCHEMBL896717 0.86 ALK (0.87) ALKKITKDR
SCHEMBL897235 0.86 ALK (0.82) ALKKITKDR
SCHEMBL20366499 0.86 ALK (0.75) ALKKDR
SCHEMBL20004210 0.86 ALK (0.75) ALK
SCHEMBL897116 0.86 ALK (0.85) ALKKITKDR
SCHEMBL20366535 0.85 ALK (0.76) ALKKITKDR
SCHEMBL896763 0.85 ALK (1.00) ALKKITKDR

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 4 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-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 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