SCHEMBL7805237

SCHEMBL7805237

C[C@H]1CNCCN1c1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.55
KDR P35968 3/20 0.48
KIT P10721 2/20 0.48
ABL1 P00519 1/20 0.44
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44

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
SCHEMBL897325 0.88 ALK (0.71) ALKKDRKITABL1INSR
SCHEMBL897324 0.88 ALK (0.71) ALKKDRKITABL1INSR
SCHEMBL7806045 0.85 ALK (0.65) ALKKDRKIT
SCHEMBL1755847 0.82 ALK (0.78) ALKKDRKITABL1INSR
SCHEMBL1755799 0.81 ALK (0.73) ALKKDRKIT
SCHEMBL7799863 0.79 ALK (0.55) ALKKDRKIT
SCHEMBL1755745 0.79 ALK (0.62) ALKKDRKIT
SCHEMBL7809165 0.79 ALK (0.55) ALKKDRKIT
SCHEMBL7803004 0.79 ALK (0.75) ALKKDRKIT
SCHEMBL7807828 0.78 ALK (0.75) ALKKDRKIT

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