SCHEMBL20004084

SCHEMBL20004084

CNCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCSC)ccc1C3=O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.57

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
SCHEMBL20004083 0.87 ALK (0.55) ALK
SCHEMBL7807170 0.85 ALK (0.61) ALK
SCHEMBL897038 0.84 ALK (0.80) ALK
SCHEMBL20366501 0.84 ALK (0.57) ALK
SCHEMBL1756027 0.78 ALK (0.60) ALK
SCHEMBL24676314 0.76 ALK (0.61) ALK
SCHEMBL1756025 0.76 ALK (0.57) ALK
SCHEMBL1756026 0.75 ALK (0.58) ALK
SCHEMBL20366488 0.73 ALK (0.61) ALK
SCHEMBL20366725 0.73 ALK (0.61) 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