SCHEMBL7199531

SCHEMBL7199531

CCOC(=O)N1CCc2c(sc3[nH]c(-c4cccnc4)nc(=O)c23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.52
KDM4E B2RXH2 4/20 0.49
WEE1 P30291 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PIM1 P11309 1/20 0.40
GSK3A P49840 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL7199532 0.86 KDM4E (0.58) RXFP1KDM4EWEE1PKMALDH1A1
SCHEMBL7196501 0.78 WEE1 (0.51) RXFP1KDM4EWEE1PKMALDH1A1
SCHEMBL7018701 0.75 CDC7 (0.51) RXFP1KDM4EALDH1A1MAPTLMNA
SCHEMBL7195650 0.68 PRKCI (0.47) KDM4EWEE1PKMALDH1A1MAPT
SCHEMBL7200540 0.67 KDM4E (0.49) RXFP1KDM4EALDH1A1MAPTGAA
SCHEMBL3716439 0.67 LMNA (0.67) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL13367199 0.67 PDE4D (0.54) RXFP1KDM4EALDH1A1MAPTLMNA
SCHEMBL7007577 0.66 ALDH1A1 (0.49) RXFP1KDM4EALDH1A1MAPTGAA
SCHEMBL969115 0.66 KDM4E (1.00) RXFP1KDM4EWEE1PKMALDH1A1
SCHEMBL7017749 0.66 CDC7 (0.46) RXFP1KDM4EALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323719-A1 Thienopyrimidine compounds and salts thereof and process for the preparation of the same NIPPON SODA CO., LTD. (JP) 2003-07-02 EP disclosed
US-6482948-B1 Thienopyrimidine compounds and salts thereof and process for the preparation of the same NIPPON SODA CO., LTD. (JP) 2002-11-19 US disclosed
EP-1167367-A1 THIENOPYRIMIDINE COMPOUNDS AND SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME NIPPON SODA CO., LTD. (JP) 2002-01-02 EP disclosed