SCHEMBL20004750

SCHEMBL20004750

C=C1c2cc(Br)c(N3CCN(C(C)(C)C)C3)cc2C2(CCOCC2)c2[nH]c3cc(C#N)ccc3c21

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.77

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
SCHEMBL897169 0.87 ALK (1.00) ALK
SCHEMBL897921 0.78 ALK (0.81) ALK
SCHEMBL898087 0.77 ALK (0.79) ALK
SCHEMBL20004748 0.77 ALK (0.82) ALK
SCHEMBL29962708 0.76 ALK (0.78) ALK
SCHEMBL898019 0.76 ALK (0.79) ALK
SCHEMBL897614 0.75 ALK (0.83) ALK
SCHEMBL897540 0.74 ALK (0.79) ALK
SCHEMBL24675726 0.74 ALK (0.76) ALK
SCHEMBL898270 0.74 ALK (0.84) 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