SCHEMBL18307148

SCHEMBL18307148

Ic1cnc2c(c1)OCCN2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
ALOX5AP P20292 14/20 0.41
FEN1 P39748 14/20 0.41
NNMT P40261 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL30657929 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL858890 0.79 GRM5 (0.54) GRM5ALOX5APFEN1NNMTALDH1A1
SCHEMBL91447 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL13114366 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL12462535 0.79 GRM5 (0.54) GRM5ALOX5APFEN1NNMTALDH1A1
SCHEMBL1258214 0.76 NNMT (0.55) GRM5ALOX5APFEN1NNMTMAPT
SCHEMBL14376061 0.76 GRM5 (0.67) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL10283350 0.76 NNMT (0.53) GRM5ALOX5APFEN1NNMT
SCHEMBL84582 0.75 GRM5 (0.50) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL21603211 0.75 GRM5 (0.50) GRM5ALOX5APFEN1ALDH1A1GAA

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
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed