SCHEMBL20004575

SCHEMBL20004575

CNc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(SCC(O)CO)ccc1C3=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.49

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
SCHEMBL24675636 0.88 ALK (0.54) ALK
SCHEMBL1755759 0.87 ALK (0.51) ALK
SCHEMBL896967 0.85 ALK (0.70) ALK
SCHEMBL21443140 0.83 ALK (0.47) ALK
SCHEMBL20366479 0.83 ALK (0.47) ALK
SCHEMBL20004588 0.82 ALK (0.54) ALK
SCHEMBL20366437 0.81 ALK (0.47) ALK
SCHEMBL20366490 0.80 ALK (0.55) ALK
SCHEMBL898516 0.73 ALK (0.68) ALK
SCHEMBL898514 0.73 ALK (0.68) 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
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed