SCHEMBL4720402

SCHEMBL4720402

O=C(O)Oc1cc(C(=O)NCc2ccncc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.45
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.45
MAPK14 Q16539 1/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 2/20 0.43
AKT1 P31749 2/20 0.43
CSF1R P07333 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NTRK2 Q16620 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
EPHX1 P07099 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL4718323 0.88 MMP13 (0.52) MMP13SMN1; SMN2GAALMNACYP3A4
SCHEMBL4720400 0.82 MMP13 (0.70) MMP13SMN1; SMN2GAALMNACYP3A4
SCHEMBL5616122 0.79 MMP13 (0.61) MMP13SMN1; SMN2GAALMNAHSD17B10
SCHEMBL4716571 0.79 MMP13 (0.76) MMP13
SCHEMBL4720434 0.79 MMP13 (0.56) MMP13SMN1; SMN2LMNACYP3A4HTT
SCHEMBL4699659 0.79 MMP13 (0.68) MMP13SMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL4718514 0.76 RAB9A (0.52) MMP13HSD17B10MAPK1POLBALDH1A1
SCHEMBL8348717 0.73 ROCK1 (0.65) MMP13SMN1; SMN2LMNACYP3A4HSD17B10
SCHEMBL5209755 0.72 SMN1; SMN2 (0.64) MMP13SMN1; SMN2GAALMNACYP3A4
SCHEMBL5615854 0.72 MMP13 (0.86) MMP13SMN1; SMN2GAALMNAHTT

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-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
EP-1560815-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES Aventis Pharma Deutschland GmbH (DE) 2005-08-10 EP disclosed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO disclosed