SCHEMBL38565

SCHEMBL38565

Cc1cccnc1NC(=O)NCc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 9/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TTK P33981 1/20 0.42
BTK Q06187 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
EPHB4 P54760 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL44576 0.80 WDR5 (0.46) WDR5KDM4EALDH1A1BTKSMN1; SMN2
SCHEMBL38703 0.79 WDR5 (0.44) WDR5KDM4EALDH1A1HPGDBTK
SCHEMBL44679 0.78 ROCK2 (0.51) ALDH1A1NPC1RAB9AEPHB4ROCK2
SCHEMBL39537 0.77 WDR5 (0.46) WDR5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL44334 0.77 NPC1 (0.49) NPC1RAB9AEPHB4HTTROCK2
SCHEMBL44374 0.77 NAMPT (0.45) WDR5MAPK1RAB9AHTTROCK2
SCHEMBL44622 0.77 LMNA (0.50) WDR5MAPK1KDM4EALDH1A1HPGD
SCHEMBL38716 0.76 FBP1 (0.47) WDR5KDM4EALDH1A1BTKCYP2C9
SCHEMBL44512 0.75 WDR5 (0.52) WDR5KDM4ENPC1
SCHEMBL13844942 0.75 WDR5 (0.52) WDR5KDM4ERAB9AROCK2ROCK1

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