SCHEMBL13844857

SCHEMBL13844857

Bc1cccc(C(=O)NCc2cccc(-c3cn4cc(C)sc4n3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.51
EPHB4 P54760 1/20 0.44
TP53 P04637 1/20 0.43
CFD P00746 1/20 0.43
AURKA O14965 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CHRM3 P20309 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL44645 0.89 WDR5 (0.51) WDR5POLB
SCHEMBL45795 0.85 CHRM3 (0.49) WDR5TP53CHRM3
SCHEMBL44675 0.85 ALDH1A1 (0.53) WDR5
SCHEMBL44398 0.83 CHRM3 (0.52) WDR5TP53CHRM3
SCHEMBL44862 0.82 GAA (0.47) WDR5TP53POLBRAB9A
SCHEMBL45277 0.80 TP53 (0.49) WDR5TP53POLBRAB9A
SCHEMBL44495 0.79 WDR5 (0.55) WDR5POLB
SCHEMBL38543 0.79 WDR5 (0.45) WDR5AURKAPOLBRAB9APSEN1
SCHEMBL44054 0.78 MAPT (0.53) TP53
SCHEMBL44636 0.76 TP53 (0.43) WDR5TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed