SCHEMBL43952

SCHEMBL43952

CNC(=O)c1nc(-c2cc(OCCOC)cc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.36
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
PIK3CA P42336 1/20 0.34
GSK3B P49841 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL44205 0.91 SMPD1 (0.35) SMPD1PIK3CAS1PR1
SCHEMBL44632 0.91 LMNA (0.36) SMPD1LMNATP53MAPTTHRB
SCHEMBL44454 0.90 CHEK2 (0.36) SMPD1GAALMNATP53MAPT
SCHEMBL44541 0.89 PDE4B (0.41) TP53MAPTS1PR1
SCHEMBL44296 0.88 MARK3 (0.39) LMNAMAPTPOLB
SCHEMBL44473 0.88 GRM5 (0.40) SMPD1LMNATP53MAPTTHRB
SCHEMBL44225 0.86 MAPT (0.50) GAALMNATP53MAPTPOLB
SCHEMBL43923 0.86 POLQ (0.37) PIK3CA
SCHEMBL38269 0.85 L3MBTL1 (0.39) LMNAMAPTS1PR1
SCHEMBL16592880 0.85 BRD4 (0.35) TP53MAPTPIK3CAS1PR1

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 2 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