SCHEMBL1755940

SCHEMBL1755940

Nc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(N2CCNCC2)c(Br)cc1C3=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.64
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL897921 0.88 ALK (0.81) ALKKITKDR
SCHEMBL7813011 0.88 ALK (0.58) ALKKDR
SCHEMBL1755919 0.88 ALK (0.61) ALKKITKDR
SCHEMBL7814003 0.86 ALK (0.67) ALKKITKDR
SCHEMBL25446834 0.85 ALK (0.61) ALKKITKDR
SCHEMBL1755967 0.84 ALK (0.64) ALKKITKDR
SCHEMBL1755829 0.82 ALK (0.61) ALKKITKDR
SCHEMBL20004748 0.79 ALK (0.82) ALKKITKDR
SCHEMBL24675726 0.78 ALK (0.76) ALKKDR
SCHEMBL897169 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 2 patents. 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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed