SCHEMBL6053097

SCHEMBL6053097

CCOC(=O)c1n[nH]c2c1ccc1cnc(CNC(N)=O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 6/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 2/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9940993 0.78 KDM4E (0.45) KDM4EPOLBKMT2AMAPK1L3MBTL1
SCHEMBL6053096 0.73 KDM4E (0.44) KDM4EPOLBKMT2ARAB9ANPC1
SCHEMBL1963577 0.69 KDM4E (0.52) KDM4EPOLBKMT2ARAB9ANPC1
SCHEMBL9940611 0.65 PIM1 (0.49) KDM4EKMT2ANPC1MEN1ALDH1A1
SCHEMBL30200851 0.65 KDM4E (0.52) KDM4EPOLBKMT2ARAB9ANPC1
SCHEMBL9940628 0.64 MAPT (0.36) KMT2ARAB9ANPC1MAPK1MEN1
SCHEMBL14026572 0.64 KDM4E (0.55) KDM4EPOLBKMT2ARAB9ANPC1
SCHEMBL1967202 0.63 KDM4E (0.48) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL4150694 0.63 CCNA2 (0.40) KDM4EKMT2ARAB9ANPC1MAPK1
SCHEMBL1967065 0.63 KDM4E (0.56) KDM4EPOLBKMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636236-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-03-22 EP disclosed
WO-2004104007-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-12-02 WO disclosed