SCHEMBL44956

SCHEMBL44956

COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)NCCN3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 2/20 0.42
GSK3B P49841 5/20 0.42
HPGDS O60760 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CD274 Q9NZQ7 2/20 0.41
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL44556 0.93 GSK3B (0.43) GSK3B
SCHEMBL44251 0.87 GSK3B (0.48) CYP2C9CYP2C19GSK3BHPGDSHPGD
SCHEMBL43952 0.84 SMPD1 (0.36) MAPTGSK3BPOLBLMNA
SCHEMBL44541 0.84 PDE4B (0.41) ALDH1A1MAPTHPGDKMT2A
SCHEMBL44296 0.83 MARK3 (0.39) MAPTPOLBLMNAKMT2A
SCHEMBL44205 0.83 SMPD1 (0.35) HPGD
SCHEMBL44632 0.82 LMNA (0.36) MAPTPOLBLMNA
SCHEMBL44454 0.82 CHEK2 (0.36) MAPTGSK3BPOLBLMNA
SCHEMBL44225 0.81 MAPT (0.50) HSD17B10ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL44473 0.80 GRM5 (0.40) MAPTPOLBLMNA

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