SCHEMBL43813

SCHEMBL43813

CNC(=O)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
POLB P06746 4/20 0.54
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.41
SYK P43405 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
DHODH Q02127 2/20 0.40
GMNN O75496 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL44141 0.88 LMNA (0.56) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL12926176 0.87 LMNA (0.43) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL43820 0.87 PDE4D (0.43) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL44135 0.87 MEN1 (0.42) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL44514 0.86 AAK1 (0.48) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL44934 0.85 AAK1 (0.46) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL38941 0.83 SMN1; SMN2 (0.47) LMNAMEN1KMT2AMAPK1ALDH1A1
SCHEMBL39292 0.81 SMN1; SMN2 (0.56) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL44718 0.74 MAP4K2 (0.45) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL39065 0.72 HTT (0.41) LMNAPOLBMEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed