SCHEMBL39873

SCHEMBL39873

CNc1ccc2nc(-c3cccc(CNC(=O)NCCOC)c3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 12/20 0.42
PIK3CG P48736 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TTK P33981 1/20 0.39
RIPK1 Q13546 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL38703 0.85 WDR5 (0.44) WDR5KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL12664676 0.70 PIK3CA (0.60) PIK3CGRIPK1CYP1A2HPGDCYP2C19
SCHEMBL44576 0.70 WDR5 (0.46) WDR5KDM4EALDH1A1
SCHEMBL39537 0.70 WDR5 (0.46) WDR5KDM4EALDH1A1HPGD
SCHEMBL13905159 0.69 PIK3CG (0.53) PIK3CGKDM4EALDH1A1TTKRIPK1
SCHEMBL12926171 0.68 CSNK1D (0.40) PIK3CGKDM4EALDH1A1HPGDRAB9A
SCHEMBL44694 0.67 ALDH1A3 (0.50) ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL44301 0.67 WDR5 (0.66) WDR5KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL46407 0.67 CYP3A4 (0.42) PIK3CGKDM4EALDH1A1HPGDRAB9A
SCHEMBL12664419 0.67 PIK3CA (0.47) PIK3CGRIPK1PIK3CDPIK3CA

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