SCHEMBL3386489

SCHEMBL3386489

CCOC(=O)C(C(=O)OCC)c1nc(NCc2cccc(C)n2)c2c(-c3ccccc3)c(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 7/20 0.38
LMNA P02545 1/20 0.38
CSNK2A2 P19784 3/20 0.37
CSNK2B P67870 3/20 0.37
CSNK2A1 P68400 3/20 0.37
ESR1 P03372 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TGM2 P21980 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3384941 0.92 ALDH1A1 (0.38) PRKCIALDH1A1MAPTHPGDKDM4E
SCHEMBL3415627 0.89 ALDH1A1 (0.44) PRKCIALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL3386501 0.88 PRKCI (0.36) PRKCIALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL3387021 0.85 JAK2 (0.36) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL2368869 0.84 PRKCI (0.43) PRKCIALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL3415878 0.84 ESR1 (0.44) ALDH1A1LMNAESR1RXFP1KDM4E
SCHEMBL3384957 0.84 ALDH1A1 (0.44) PRKCIALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL2368411 0.83 SMN1; SMN2 (0.42) PRKCIALDH1A1MAPTHPGDKDM4E
SCHEMBL3384949 0.82 BCL2 (0.33) PRKCIALDH1A1LMNAMAPTHPGD
SCHEMBL2368222 0.79 PRKCI (0.41) PRKCIALDH1A1LMNACSNK2A2CSNK2B

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