SCHEMBL44374

SCHEMBL44374

O=C(NCc1cccc(-c2cn3ncccc3n2)c1)Nc1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
F3 P13726 3/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
SHMT2 P34897 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
WDR5 P61964 2/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL44281 0.86 KDM4E (0.48) F3HTTMEN1RAB9AKMT2A
SCHEMBL44334 0.84 NPC1 (0.49) NAMPTF3ROCK2HTTEPHX2
SCHEMBL38565 0.77 WDR5 (0.44) ROCK2ROCK1HTTRAB9AWDR5
SCHEMBL44512 0.76 WDR5 (0.52) NAMPTLMNAWDR5MAPT
SCHEMBL44576 0.76 WDR5 (0.46) WDR5MAPT
SCHEMBL44679 0.76 ROCK2 (0.51) NAMPTROCK2MEN1RAB9AKMT2A
SCHEMBL44622 0.75 LMNA (0.50) F3ROCK2ROCK1HTTMEN1
SCHEMBL38703 0.75 WDR5 (0.44) NAMPTROCK2ROCK1RAB9AWDR5
SCHEMBL38716 0.74 FBP1 (0.47) NAMPTWDR5MAPT
SCHEMBL39537 0.73 WDR5 (0.46) WDR5MAPT

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