SCHEMBL1756008

SCHEMBL1756008

Nc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(O)ccc1C3=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.52
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CHEK1 O14757 3/20 0.37
WEE1 P30291 3/20 0.37
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL897191 0.85 ALK (0.69) ALKKITKDR
SCHEMBL7813868 0.85 ALK (0.59) ALK
SCHEMBL7813874 0.81 ALK (0.79) ALK
SCHEMBL7802173 0.80 ALK (0.66) ALK
SCHEMBL1755913 0.80 ALK (0.52) ALK
SCHEMBL7813823 0.78 ALK (0.78) ALKKDR
SCHEMBL1756006 0.77 ALK (0.72) ALK
SCHEMBL7807148 0.77 ALK (0.61) ALKKDR
SCHEMBL1755940 0.75 ALK (0.64) ALKKITKDR
SCHEMBL7815431 0.75 ALK (0.53) ALK

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