SCHEMBL44632

SCHEMBL44632

COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)Nc3ncccn3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
PIK3CA P42336 1/20 0.36
P2RX3 P56373 2/20 0.34
SMPD1 P17405 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL44473 0.91 GRM5 (0.40) LMNAMAPTTP53THRBPOLB
SCHEMBL43952 0.91 SMPD1 (0.36) LMNAMAPTTP53THRBPOLB
SCHEMBL44205 0.89 SMPD1 (0.35) PIK3CAP2RX3SMPD1
SCHEMBL44454 0.88 CHEK2 (0.36) LMNAMAPTTP53THRBPOLB
SCHEMBL44541 0.87 PDE4B (0.41) MAPTTP53PDE4APDE4BPDE4C
SCHEMBL43923 0.87 POLQ (0.37) PIK3CAP2RX3
SCHEMBL44296 0.86 MARK3 (0.39) LMNAMAPTPOLBSCN10A
SCHEMBL44225 0.84 MAPT (0.50) LMNAMAPTTP53POLB
SCHEMBL38269 0.83 L3MBTL1 (0.39) LMNAMAPTP2RX3
SCHEMBL16592880 0.83 BRD4 (0.35) MAPTTP53PIK3CAP2RX3

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