SCHEMBL20004082

SCHEMBL20004082

C=NCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCC(=O)N2CCNCC2)ccc1C3=O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.75

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
SCHEMBL1755969 0.87 ALK (0.79) ALK
SCHEMBL7808791 0.87 ALK (0.79) ALK
Hydrochloric Acid SCHEMBL29962318 0.86 ALK (0.78) ALK
Hydrochloric Acid SCHEMBL897454 0.86 ALK (0.78) ALK
SCHEMBL10283095 0.85 ALK (1.00) ALK
SCHEMBL18255524 0.85 ALK (0.76) ALK
Hydrochloric Acid SCHEMBL897136 0.85 ALK (0.98) ALK
Hydrochloric Acid SCHEMBL29962557 0.85 ALK (0.98) ALK
SCHEMBL20004129 0.83 ALK (0.72) ALK
SCHEMBL898176 0.79 ALK (0.81) 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