SCHEMBL3345841

SCHEMBL3345841

Cc1c(N)cccc1N1CCN(CC=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2C P18825 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
REV1 Q9UBZ9 1/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL3346986 0.87 GAA (0.39) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL3347067 0.78 MEN1 (0.35) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL9905007 0.76 KEAP1 (0.62) GAAALDH1A1MEN1KMT2AADRA2C
SCHEMBL15653140 0.73 MAPT (0.67) GAAALDH1A1MEN1KMT2ADRD2
SCHEMBL3312656 0.73 ALDH1A1 (0.72) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL1194044 0.73 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL1193917 0.72 DRD2 (0.64) HPGDALDH1A1TSHRMAPK1DRD2
SCHEMBL3346311 0.71 KDM4E (0.36) HPGDGAAALDH1A1TSHRMAPK1
SCHEMBL15651320 0.71 LGMN (0.49) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL4572947 0.71 ADRA2C (0.56) GAAALDH1A1ADRA2CTSHRMAPK1

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed