SCHEMBL44674

SCHEMBL44674

COc1cccc(NC(=O)NCc2cccc(-c3cn4cc(C)sc4n3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
F3 P13726 1/20 0.51
ROCK2 O75116 7/20 0.50
EPHB4 P54760 1/20 0.50
ROCK1 Q13464 2/20 0.48
NAMPT P43490 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
WDR5 P61964 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL44483 0.87 RAB9A (0.52) MAPTTP53SMN1; SMN2ROCK2EPHB4
SCHEMBL44856 0.86 F3 (0.51) MAPTTP53POLBSMN1; SMN2F3
SCHEMBL44054 0.81 MAPT (0.53) MAPTTP53SMN1; SMN2
SCHEMBL38543 0.80 WDR5 (0.45) MAPTPOLBRAB9AWDR5
SCHEMBL44862 0.79 GAA (0.47) MAPTTP53POLBSMN1; SMN2RAB9A
SCHEMBL19997616 0.78 WDR5 (0.75) WDR5
SCHEMBL45277 0.77 TP53 (0.49) MAPTTP53POLBRAB9AWDR5
SCHEMBL39660 0.76 CYP19A1 (0.56) MAPTTP53POLB
SCHEMBL44495 0.76 WDR5 (0.55) MAPTPOLBSMN1; SMN2WDR5
SCHEMBL45795 0.75 CHRM3 (0.49) MAPTTP53SMN1; SMN2WDR5

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