SCHEMBL44216

SCHEMBL44216

O=C(NCc1cccc(-c2cn3ncccc3n2)c1)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.52
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.45
SENP1 Q9P0U3 2/20 0.45
CFD P00746 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL44512 0.85 WDR5 (0.52) WDR5LMNANPC1
SCHEMBL13844942 0.85 WDR5 (0.52) WDR5LMNACFDPOLBRAB9A
SCHEMBL44653 0.85 ALDH1A1 (0.54) WDR5LMNAHPGD
SCHEMBL44165 0.83 LMNA (0.48) WDR5LMNAHPGDAURKA
SCHEMBL44301 0.82 WDR5 (0.66) WDR5HPGDNPC1RAB9AAURKA
SCHEMBL44576 0.80 WDR5 (0.46) WDR5TSHRAURKA
SCHEMBL39537 0.78 WDR5 (0.46) WDR5HPGD
SCHEMBL38703 0.77 WDR5 (0.44) WDR5HPGDRAB9AAURKA
SCHEMBL44645 0.77 WDR5 (0.51) WDR5LMNAHPGDSENP1POLB
SCHEMBL44622 0.75 LMNA (0.50) WDR5LMNAHPGDNPC1RAB9A

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