SCHEMBL7817993

SCHEMBL7817993

CC1(C)c2cc(C(=O)N3CCC(O)CC3)ccc2C(=O)c2c1[nH]c1cc(C=N)ccc21

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.58

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
SCHEMBL7811533 0.89 ALK (0.73) ALK
SCHEMBL897342 0.84 ALK (0.80) ALK
SCHEMBL7811393 0.79 ALK (0.61) ALK
SCHEMBL7810161 0.79 ALK (0.68) ALK
SCHEMBL7806091 0.76 ALK (0.58) ALK
SCHEMBL1755814 0.76 ALK (0.64) ALK
SCHEMBL897565 0.74 ALK (0.84) ALK
SCHEMBL7809047 0.74 ALK (0.77) ALK
SCHEMBL16775669 0.74 ALK (0.83) ALK
SCHEMBL896934 0.73 ALK (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed