SCHEMBL20004083

SCHEMBL20004083

C=NCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCSC)ccc1C3=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.55

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
SCHEMBL20004084 0.87 ALK (0.57) ALK
SCHEMBL7807170 0.85 ALK (0.61) ALK
SCHEMBL21443204 0.83 ALK (0.53) ALK
SCHEMBL897038 0.83 ALK (0.80) ALK
SCHEMBL20004129 0.81 ALK (0.72) ALK
SCHEMBL20004568 0.81 ALK (0.58) ALK
SCHEMBL24675628 0.81 ALK (0.51) ALK
SCHEMBL1756027 0.78 ALK (0.60) ALK
SCHEMBL24676357 0.78 ALK (0.44) ALK
SCHEMBL20004082 0.78 ALK (0.75) 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