SCHEMBL3387429

SCHEMBL3387429

CCOC(=O)Cc1nc(NCc2cccc(C)n2)c2c(-c3ccc(F)cc3)c(C)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL3384957 0.92 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL2369234 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL3382770 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL3387823 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL3384941 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL2369471 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL2368679 0.84 PRKCI (0.38) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL3387832 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL2368222 0.81 PRKCI (0.41) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL3386420 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2

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