SCHEMBL44679

SCHEMBL44679

N#Cc1cccc(NC(=O)NCc2cccc(-c3cn4ncccc4n3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.51
EPHB4 P54760 2/20 0.49
NAMPT P43490 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR3 P51677 2/20 0.43
PPIA P62937 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL44267 0.82 ALDH1A3 (0.41) MAPTLMNAALOX15ALDH1A1
SCHEMBL44334 0.81 NPC1 (0.49) ROCK2EPHB4NAMPTMEN1MAPT
SCHEMBL38873 0.78 CYP19A1 (0.47) NAMPTALDH1A1
SCHEMBL38565 0.78 WDR5 (0.44) ROCK2EPHB4SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL44375 0.78 ALDH1A3 (0.53) ALOX15
SCHEMBL44576 0.76 WDR5 (0.46) SMN1; SMN2MAPTALDH1A1
SCHEMBL44374 0.76 NAMPT (0.45) ROCK2NAMPTMEN1MAPTKMT2A
SCHEMBL44622 0.76 LMNA (0.50) ROCK2MEN1MAPTKMT2ALMNA
SCHEMBL38703 0.76 WDR5 (0.44) ROCK2NAMPTALDH1A1RAB9A
SCHEMBL38716 0.75 FBP1 (0.47) NAMPTSMN1; SMN2MAPTALDH1A1

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