SCHEMBL44576

SCHEMBL44576

COC(=O)NCc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 14/20 0.46
TSHR P16473 1/20 0.40
BTK Q06187 1/20 0.40
AURKA O14965 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL39537 0.88 WDR5 (0.46) WDR5MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL38703 0.86 WDR5 (0.44) WDR5BTKAURKAKDM4EALDH1A1
SCHEMBL44301 0.85 WDR5 (0.66) WDR5AURKAKDM4EALDH1A1
SCHEMBL13844942 0.81 WDR5 (0.52) WDR5KDM4ESMN1; SMN2
SCHEMBL44512 0.81 WDR5 (0.52) WDR5MAPTKDM4E
SCHEMBL44216 0.80 WDR5 (0.52) WDR5TSHRAURKA
SCHEMBL38565 0.80 WDR5 (0.44) WDR5BTKKDM4EALDH1A1SMN1; SMN2
SCHEMBL44622 0.79 LMNA (0.50) WDR5MAPTKDM4EALDH1A1
SCHEMBL38716 0.79 FBP1 (0.47) WDR5BTKMAPTKDM4EALDH1A1
SCHEMBL13844941 0.78 WDR5 (0.42) WDR5TSHRMAPTKDM4EALDH1A1

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 2 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