SCHEMBL20070913

SCHEMBL20070913

COc1ccc(C(=O)N2CC23CCN(I)CC3)cn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.52
RET P07949 1/20 0.47
NNMT P40261 2/20 0.46
KCNH2 Q12809 2/20 0.43
GABRA5 P31644 1/20 0.40
TACR3 P29371 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PDE2A O00408 1/20 0.39
HPGD P15428 1/20 0.38
SLC18A3 Q16572 1/20 0.38
MLLT1 Q03111 1/20 0.37
NAMPT P43490 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
SCHEMBL20153163 0.89 GPR183 (0.53) GPR183RETNNMTKCNH2GABRA5
SCHEMBL21159105 0.88 GPR183 (0.52) GPR183RETNNMTKCNH2GABRA5
SCHEMBL23555335 0.87 GPR183 (0.52) GPR183RETNNMTKCNH2GABRA5
SCHEMBL20160530 0.86 GPR183 (0.51) GPR183RETNNMTKCNH2GABRA5
SCHEMBL20148743 0.86 GPR183 (0.51) GPR183RETNNMTKCNH2GABRA5
SCHEMBL30374831 0.77 GPR183 (0.82) GPR183KCNH2
SCHEMBL22773723 0.72 GPR183 (0.62) GPR183NNMTKCNH2PDE2AHPGD
SCHEMBL20070949 0.71 RET (0.46) RETKCNH2
SCHEMBL26487961 0.69 GPR183 (1.00) GPR183KCNH2
SCHEMBL30014437 0.69 HPGD (0.67) GPR183HPGDNAMPT

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-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed