SCHEMBL13844939

SCHEMBL13844939

CCOC(=O)c1cccnc1Nc1cccc(-c2c[nH]c(/C=C\C=N)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
JAK3 P52333 11/20 0.41
JAK2 O60674 5/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL46662 0.86 LMNA (0.51) SYKHTTMAPK1MEN1PKM
SCHEMBL44934 0.74 AAK1 (0.46) SYKHTTMAPK1AAK1MEN1
SCHEMBL26742261 0.74 HTT (0.56) SYKHTTMAPK1MEN1PKM
SCHEMBL11833609 0.72 HTT (0.68) HTTMAPK1MEN1KMT2A
SCHEMBL8689929 0.70 LMNA (0.69) SYKHTTMAPK1MEN1PKM
SCHEMBL8693048 0.70 ELANE (0.52) SYKHTTMAPK1MEN1PKM
SCHEMBL11790155 0.69 KMT2A (0.69) HTTMAPK1MEN1PKMKMT2A
SCHEMBL7446183 0.68 HTT (0.55) HTTMAPK1MEN1PKMKMT2A
SCHEMBL10378109 0.68 HTT (0.54) HTTMAPK1MEN1PKMKMT2A
SCHEMBL11830768 0.68 DHODH (0.56) HTTMAPK1MEN1KMT2A

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-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed