SCHEMBL20366386

SCHEMBL20366386

C/N=C\c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(N2CCN(C(C)(C)C)CC2)c(Br)cc1C3=O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.73
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL25446834 0.90 ALK (0.61) ALKKITKDR
SCHEMBL25446835 0.89 ALK (0.58) ALK
SCHEMBL20366593 0.89 ALK (0.58) ALK
SCHEMBL25446842 0.87 ALK (0.61) ALKKITKDR
SCHEMBL20004748 0.87 ALK (0.82) ALKKITKDR
SCHEMBL20366569 0.87 ALK (0.59) ALKKITKDR
SCHEMBL24675726 0.85 ALK (0.76) ALKKDR
SCHEMBL897169 0.85 ALK (1.00) ALKKITKDR
SCHEMBL21443222 0.81 ALK (0.48) ALK
SCHEMBL20004266 0.79 ALK (0.61) 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 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-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