SCHEMBL4689918

SCHEMBL4689918

COc1ccc(N(C(=O)NCc2cnc(Cl)nc2Cl)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
MAPK8 P45983 1/20 0.43
NPBWR1 P48145 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TP53 P04637 3/20 0.39
QPCT Q16769 1/20 0.39
HPGDS O60760 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.38
GAA P10253 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4687567 0.77 LMNA (0.56) SMN1; SMN2TP53MEN1KMT2AGAA
SCHEMBL6205797 0.75 GAA (0.45) SMN1; SMN2TP53MEN1KMT2AGAA
SCHEMBL6207367 0.73 LMNA (0.47) SMN1; SMN2TP53MEN1KMT2AGAA
SCHEMBL4836759 0.72 MAPK14 (0.54) MAPK8SMN1; SMN2TP53MAPK14GAA
SCHEMBL4692835 0.71 MAPT (0.45) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL22165488 0.70 SMN1; SMN2 (0.62) SMN1; SMN2TP53MEN1KMT2AGAA
SCHEMBL4764854 0.68 CCKAR (0.45)
SCHEMBL4764898 0.68 ESR1 (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL29542273 0.67 SMN1; SMN2 (0.56) SMN1; SMN2TP53MEN1KMT2AGAA
SCHEMBL22178978 0.67 SMN1; SMN2 (0.56) SMN1; SMN2TP53MEN1KMT2AGAA

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-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO disclosed