SCHEMBL7809641

SCHEMBL7809641

CC#Cc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C1(CCOCC1)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.82
KDR P35968 3/20 0.54
KIT P10721 2/20 0.54
GAK O14976 1/20 0.52
ACOX3 O15254 1/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
ESR1 P03372 1/20 0.52
PGR P06401 1/20 0.52
RET P07949 1/20 0.52
ROS1 P08922 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PHKG2 P15735 1/20 0.52
FER P16591 1/20 0.52
EPHA1 P21709 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
SLC6A4 P31645 1/20 0.52

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
SCHEMBL7806109 0.97 ALK (0.78) ALKKDRKITGAKACOX3
SCHEMBL7813485 0.93 ALK (0.72) ALKKDRKITGAKACOX3
SCHEMBL7814044 0.92 ALK (0.70) ALKKDRKITGAKACOX3
SCHEMBL7807370 0.91 ALK (0.69) ALKKDRKIT
SCHEMBL1755904 0.91 ALK (0.68) ALKKDRKITGAKACOX3
SCHEMBL897820 0.90 ALK (1.00) ALKKDRKITGAKACOX3
SCHEMBL7815393 0.89 ALK (0.72) ALKKDRKITGAKACOX3
SCHEMBL7814026 0.89 ALK (0.67) ALKKDRKITGAKACOX3
SCHEMBL7814003 0.88 ALK (0.67) ALKKDRKIT
SCHEMBL24676215 0.88 ALK (0.75) ALKKDRKITGAKACOX3

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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed