SCHEMBL3383464

SCHEMBL3383464

CCC(C)OC(=O)C(C(=O)O)c1nc(NCc2cccc(C)n2)c2c(-c3ccc4c(c3)OCO4)csc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PRKCZ Q05513 3/20 0.37
PRKCI P41743 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.34

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
SCHEMBL3384583 0.91 CLK4 (0.41) CLK4CLK1CLK2CLK3DYRK1A
SCHEMBL3383460 0.89 PRKCZ (0.43) CLK4CLK1CLK2CLK3DYRK1A
SCHEMBL3415890 0.88 ESR1 (0.40) PIP4K2CMAPK1LMNAKMT2ASMN1; SMN2
SCHEMBL3387032 0.88 MAPK1 (0.34) CLK4CLK1CLK2CLK3DYRK1A
SCHEMBL2369294 0.87 TGM2 (0.36) MAPK1LMNAKDM4EKMT2AMAPT
SCHEMBL2369291 0.82 CYP1A2 (0.41) CLK4CLK1CLK2CLK3DYRK1A
SCHEMBL2369261 0.80 SMN1; SMN2 (0.43) CLK4CLK1CLK2CLK3DYRK1A
SCHEMBL6360615 0.80 CLK4 (0.47) CLK4DYRK1APIP4K2CTDP1CYP1A2
SCHEMBL3384571 0.80 CLK4 (0.46) CLK4CLK1CLK2CLK3DYRK1A
SCHEMBL3387551 0.79 DYRK1A (0.40) CLK4CLK1CLK2CLK3DYRK1A

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
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