SCHEMBL1755831

SCHEMBL1755831

N#Cc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(N=O)c(F)cc1C3=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.64
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL17636130 0.89 ALK (0.65) ALK
SCHEMBL898338 0.87 ALK (0.65) ALKKITKDR
SCHEMBL897638 0.85 ALK (0.63) ALK
SCHEMBL897584 0.81 ALK (0.59) ALK
SCHEMBL897191 0.80 ALK (0.69) ALKKITKDR
SCHEMBL898198 0.80 ALK (0.67) ALK
SCHEMBL1755918 0.79 ALK (0.64) ALK
SCHEMBL897902 0.78 ALK (0.68) ALK
SCHEMBL897899 0.78 ALK (0.89) ALKKITKDR
SCHEMBL897401 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed