SCHEMBL1755908

SCHEMBL1755908

COc1cccc2c1C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.50
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FGB P02675 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2A P29274 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL21766971 0.84 ALK (0.50) ALK
SCHEMBL898680 0.84 ALK (0.69) ALK
SCHEMBL7812433 0.83 ALK (0.43) ALKALDH1A1MAPT
SCHEMBL7809425 0.82 ALK (0.59) ALK
SCHEMBL10272638 0.82 ALK (0.75) ALK
SCHEMBL7811873 0.81 ALK (0.72) ALK
SCHEMBL7810970 0.81 ALK (0.55) ALK
SCHEMBL1755809 0.81 ALK (0.54) ALK
SCHEMBL7811871 0.80 ALK (0.57) ALK
SCHEMBL7810179 0.79 ALK (0.47) 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 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