SCHEMBL3386501

SCHEMBL3386501

CCC(C)OC(=O)C(C(=O)O)c1nc(NCc2cccc(C)n2)c2c(-c3ccccc3)c(C)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
CSNK2A2 P19784 3/20 0.34
CSNK2B P67870 3/20 0.34
CSNK2A1 P68400 3/20 0.34
TGM2 P21980 2/20 0.34
ESR1 P03372 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
CACNA2D1 P54289 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL3384949 0.94 BCL2 (0.33) PRKCIALDH1A1LMNACDK2CDK9
SCHEMBL3415634 0.91 KDM4E (0.39) PRKCIALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL3387032 0.88 MAPK1 (0.34) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL3386489 0.88 PRKCI (0.40) PRKCIALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL3415890 0.86 ESR1 (0.40) ALDH1A1LMNAESR1SMN1; SMN2
SCHEMBL2368417 0.86 SMN1; SMN2 (0.37) PRKCIALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3384941 0.80 ALDH1A1 (0.38) PRKCIALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2369294 0.80 TGM2 (0.36) ALDH1A1LMNATGM2ESR1KDM4E
SCHEMBL3387551 0.80 DYRK1A (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL2368869 0.79 PRKCI (0.43) 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