SCHEMBL1244513

SCHEMBL1244513

O=C(O)Nc1cccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.49
DNMT1 P26358 2/20 0.44
DNMT3A Q9Y6K1 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PIP4K2A P48426 3/20 0.42
PIP4K2B P78356 3/20 0.42
PIKFYVE Q9Y2I7 1/20 0.42
CDK9 P50750 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
EHMT1 Q9H9B1 1/20 0.41

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
SCHEMBL1243786 0.96 PIP4K2C (0.49) PIP4K2CDNMT1DNMT3AALDH1A1CYP1A2
SCHEMBL1244782 0.93 PIP4K2C (0.57) PIP4K2CDNMT1DNMT3AALDH1A1CYP1A2
SCHEMBL1243893 0.93 PIP4K2C (0.51) PIP4K2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1244720 0.92 ALDH1A1 (0.48) PIP4K2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1244342 0.89 CYP1A2 (0.47) PIP4K2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28621552 0.89 PIP4K2C (0.46) PIP4K2CDNMT1DNMT3AALDH1A1CYP1A2
SCHEMBL1244474 0.89 CDK9 (0.46) PIP4K2CDNMT1DNMT3AALDH1A1TSHR
SCHEMBL1243659 0.88 PIP4K2C (0.43) PIP4K2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4375146 0.88 PIP4K2C (0.46) PIP4K2CDNMT1DNMT3AALDH1A1CYP1A2
SCHEMBL1244614 0.87 PIP4K2C (0.44) PIP4K2CDNMT1DNMT3AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US claimed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP claimed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 WO disclosed