SCHEMBL7199532

SCHEMBL7199532

CCOC(=O)N1CCc2c(sc3nc(-c4cccnc4)[nH]c(=O)c23)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
RXFP1 Q9HBX9 3/20 0.58
BRD4 O60885 9/20 0.51
WEE1 P30291 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
BRD2 P25440 1/20 0.49
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDKN1A P38936 1/20 0.47
PKM P14618 1/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46

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
SCHEMBL7199531 0.86 RXFP1 (0.52) KDM4ERXFP1WEE1ALDH1A1LMNA
SCHEMBL7196501 0.83 WEE1 (0.51) KDM4ERXFP1WEE1ALDH1A1LMNA
SCHEMBL4506134 0.75 KDM4E (0.57) KDM4ERXFP1ALDH1A1LMNAMAPT
SCHEMBL969115 0.74 KDM4E (1.00) KDM4ERXFP1WEE1ALDH1A1LMNA
SCHEMBL7195650 0.73 PRKCI (0.47) KDM4EWEE1ALDH1A1LMNAMAPT
SCHEMBL13154959 0.72 KDM4E (0.68) KDM4ERXFP1BRD4ALDH1A1LMNA
SCHEMBL968341 0.70 KDM4E (0.59) KDM4ERXFP1WEE1ALDH1A1LMNA
SCHEMBL969839 0.69 KDM4E (0.58) KDM4ERXFP1WEE1ALDH1A1LMNA
SCHEMBL3492144 0.69 ALDH1A1 (0.65) KDM4ERXFP1ALDH1A1MAPTTSHR
SCHEMBL415023 0.69 MTHFD2 (0.52) MAPT

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