SCHEMBL44541

SCHEMBL44541

COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)NC3CC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.41
PDE4D Q08499 7/20 0.41
PDE4A P27815 6/20 0.39
PDE4C Q08493 6/20 0.39
RIPK2 O43353 1/20 0.39
CD38 P28907 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
TYK2 P29597 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL43952 0.89 SMPD1 (0.36) TP53MAPTS1PR1
SCHEMBL44205 0.87 SMPD1 (0.35) HPGDS1PR1
SCHEMBL44632 0.87 LMNA (0.36) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL44454 0.87 CHEK2 (0.36) TP53MAPTHTT
SCHEMBL44296 0.85 MARK3 (0.39) SMN1; SMN2KMT2AMAPT
SCHEMBL44473 0.85 GRM5 (0.40) RAB9ANPC1TYK2SMN1; SMN2TP53
SCHEMBL44556 0.85 GSK3B (0.43) TSHR
SCHEMBL44956 0.84 HSD17B10 (0.43) ALDH1A1HPGDKMT2AMAPT
SCHEMBL44225 0.83 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL43923 0.82 POLQ (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2MAPK1

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