SCHEMBL44514

SCHEMBL44514

COCCNC(=O)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAPK1 P28482 3/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
TGFBR1 P36897 1/20 0.40
LMNA P02545 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PDPK1 O15530 1/20 0.39
MAP4K2 Q12851 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
SCHEMBL44135 0.90 MEN1 (0.42) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL43813 0.86 LMNA (0.54) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL44934 0.83 AAK1 (0.46) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL43820 0.83 PDE4D (0.43) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL44141 0.82 LMNA (0.56) MEN1KMT2AMAPTALDH1A1PIM2
SCHEMBL12926176 0.81 LMNA (0.43) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL38941 0.78 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL44718 0.78 MAP4K2 (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL39292 0.76 SMN1; SMN2 (0.56) MAPTALDH1A1LMNAKDM4E
SCHEMBL38703 0.76 WDR5 (0.44) ALDH1A1KDM4ERAB9AAURKA

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