SCHEMBL20004861

SCHEMBL20004861

C/C=C1\c2ccc(OCCN(CC)CC)cc2C(C)(C)c2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.63
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL897808 0.88 ALK (0.81) ALK
SCHEMBL29962074 0.88 ALK (0.81) ALK
SCHEMBL898667 0.79 ALK (0.86) ALK
SCHEMBL29962490 0.79 ALK (0.86) ALK
SCHEMBL29962179 0.77 ALK (1.00) ALK
SCHEMBL897835 0.77 ALK (1.00) ALK
SCHEMBL897142 0.76 ALK (0.87) ALK
SCHEMBL29962167 0.76 ALK (0.87) ALK
SCHEMBL29962744 0.74 ALK (0.81) ALK
SCHEMBL897188 0.74 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