SCHEMBL7198636

SCHEMBL7198636

COc1ccc(CNc2nc(C(C)=O)nc3sc4c(c23)CCN(C)C4)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PDE5A O76074 6/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
BCDIN3D Q7Z5W3 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL7203216 0.94 KDM4E (0.51) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7197966 0.91 KDM4E (0.47) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7203222 0.87 KDM4E (0.51) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7199734 0.87 KDM4E (0.47) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7198955 0.86 KDM4E (0.50) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7198212 0.86 KDM4E (0.51) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7202148 0.83 KDM4E (0.49) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7198186 0.82 HTR1A (0.43) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL7196485 0.81 HTR1A (0.44) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL7198158 0.81 KDM4E (0.46) KDM4EGAAMAPTALDH1A1GLA

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