SCHEMBL44334

SCHEMBL44334

O=C(NCc1cccc(-c2cn3ncccc3n2)c1)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
EPHX2 P34913 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
F3 P13726 1/20 0.43
ROCK2 O75116 1/20 0.42
NAMPT P43490 1/20 0.42
EPHB4 P54760 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL44374 0.84 NAMPT (0.45) EPHX2RAB9ALMNAMEN1KMT2A
SCHEMBL44679 0.81 ROCK2 (0.51) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL44512 0.78 WDR5 (0.52) NPC1LMNAMAPTNAMPT
SCHEMBL38565 0.77 WDR5 (0.44) NPC1RAB9AHTTABL1BCR
SCHEMBL44576 0.76 WDR5 (0.46) MAPT
SCHEMBL44622 0.75 LMNA (0.50) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL38703 0.75 WDR5 (0.44) RAB9AROCK2NAMPT
SCHEMBL5475479 0.74 EPHB4 (0.58) EPHB4
SCHEMBL38716 0.74 FBP1 (0.47) MAPTNAMPT
SCHEMBL20911009 0.73 NPC1 (0.67) NPC1EPHX2RAB9ALMNAMEN1

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