SCHEMBL8230640

SCHEMBL8230640

COCCC(=O)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.59
CASP6 P55212 1/20 0.59
MAPT P10636 11/20 0.53
GAA P10253 3/20 0.53
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
HTR1A P08908 2/20 0.47
HTR1D P28221 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL8230222 0.85 MAPT (0.67) GFERCASP6MAPTGAAKDM4E
SCHEMBL4994240 0.85 GFER (0.61) GFERCASP6MAPTGAANPC1
SCHEMBL28705770 0.83 ALDH1A1 (0.51) GFERMAPTGAANPC1KDM4E
SCHEMBL23911877 0.82 GLA (0.56) GFERCASP6MAPTGAANPC1
SCHEMBL26297059 0.82 HRH3 (0.54) MAPTGAANPC1KDM4ELMNA
SCHEMBL21471586 0.81 MAPT (0.56) GFERCASP6MAPTGAANPC1
SCHEMBL30230328 0.81 MAPT (0.49) GFERMAPTGAANPC1KDM4E
SCHEMBL1813106 0.80 GFER (0.68) GFERCASP6MAPTGAAKDM4E
SCHEMBL23751019 0.80 ADAMTS5 (0.44) MAPTGAANPC1KDM4EL3MBTL1
SCHEMBL6508169 0.80 GFER (0.59) GFERCASP6MAPTGAAKDM4E

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