SCHEMBL3383063

SCHEMBL3383063

CNC(=O)Cc1nc(NCc2cccc(C)n2)c2c(-c3ccc4c(c3)OCO4)c(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 3/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TGFBR1 P36897 5/20 0.37
CLK4 Q9HAZ1 3/20 0.36
RAB9A P51151 2/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36

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
SCHEMBL3387823 0.90 KDM4E (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3382804 0.90 DYRK1A (0.46) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2368379 0.88 CYP1A2 (0.39) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2368616 0.87 MEN1 (0.42) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2368222 0.85 PRKCI (0.41) LMNAKDM4ESMN1; SMN2
SCHEMBL3382770 0.84 ALDH1A1 (0.41) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2368813 0.82 CYP1A2 (0.38) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2369270 0.82 PDCD1 (0.39) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3387021 0.82 JAK2 (0.36) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2368838 0.81 CCNE2 (0.41) LMNAKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed