SCHEMBL8230856

SCHEMBL8230856

CN(C)CC(C)(C)/C=C/CN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
GFER P55789 4/20 0.49
GAA P10253 4/20 0.49
RAD52 P43351 2/20 0.49
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2C P18825 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL8236174 0.77 MAPT (0.55) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL6550226 0.73 MAPT (0.61) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL4438019 0.70 MAPT (0.62) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL6151797 0.70 MAPT (0.62) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL1018073 0.70 MAPT (0.61) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL943610 0.70 MAPT (0.66) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL6698558 0.69 MAPT (0.60) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL4499003 0.68 KDM4E (0.58) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL158007 0.67 MAPT (1.00) MAPTKDM4ESMN1; SMN2GFERGAA
SCHEMBL6152136 0.67 MAPT (1.00) MAPTKDM4ESMN1; SMN2GFERGAA

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-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed