SCHEMBL7811110

SCHEMBL7811110

COc1cc2c(cc1Br)C(=O)c1c([nH]c3cccc(N)c13)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.58
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FGB P02675 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA2A P29274 1/20 0.37
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL897126 0.88 ALK (0.72) ALKGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL897087 0.85 ALK (0.61) ALKSRPK2SRPK1
SCHEMBL897421 0.79 ALK (0.69) ALK
SCHEMBL21443130 0.78 ALK (0.74) ALK
SCHEMBL898219 0.77 ALK (0.66) ALK
SCHEMBL7811873 0.77 ALK (0.72) ALK
SCHEMBL20004120 0.77 ALK (0.45) ALKSRPK2SRPK1
SCHEMBL1755893 0.76 ALK (0.77) ALK
SCHEMBL20366431 0.76 ALK (0.61) ALKSRPK2SRPK1
SCHEMBL897528 0.74 ALK (0.92) ALKSRPK2SRPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed