SCHEMBL8236174

SCHEMBL8236174

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
GFER P55789 4/20 0.55
GAA P10253 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
RAD52 P43351 2/20 0.55
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.47
ADRA2C P18825 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL943610 0.81 MAPT (0.66) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL1815259 0.78 MAPT (0.62) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL8230856 0.77 MAPT (0.49) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL4438019 0.75 MAPT (0.62) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL6151797 0.75 MAPT (0.62) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL5725588 0.74 MAPT (0.61) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL4499003 0.73 KDM4E (0.58) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL188931 0.72 MAPT (0.54) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL158007 0.72 MAPT (1.00) MAPTGFERGAASMN1; SMN2KDM4E
SCHEMBL6152136 0.72 MAPT (1.00) MAPTGFERGAASMN1; SMN2KDM4E

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