SCHEMBL44472

SCHEMBL44472

CNC(=O)Cc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 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
SCHEMBL44623 0.89 FFAR1 (0.42) HTTMAPK1KMT2ATSHR
SCHEMBL44354 0.89 HPGD (0.45) HTTKMT2ATSHR
SCHEMBL44314 0.88 HDAC4 (0.42) HTTTP53MAPT
SCHEMBL45433 0.88 GLA (0.37) KMT2AMAPTGLA
SCHEMBL44565 0.87 HPGD (0.51) HTTPKMTP53KMT2ATSHR
SCHEMBL45068 0.87 HPGD (0.38) KMT2ATSHRHDAC1
SCHEMBL44310 0.87 HPGD (0.50) KMT2ATSHR
SCHEMBL44594 0.86 HTR1A (0.39) HTTTP53KMT2AHDAC1HDAC2
SCHEMBL44304 0.85 KCNH2 (0.43) MAPK1TP53KMT2AMAPT
SCHEMBL44277 0.85 MEN1 (0.42) TP53KMT2ATSHR

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