SCHEMBL6560596

SCHEMBL6560596

OCc1csc(-n2ccnc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
OGA O60502 1/20 0.34
CYP3A4 P08684 3/20 0.34
IDO1 P14902 2/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CD38 P28907 1/20 0.33
LMNA P02545 2/20 0.33
CYP19A1 P11511 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL13779484 0.83 CYP3A4 (0.36) CHEK1ENPP2MKNK1MKNK2OGA
SCHEMBL5761153 0.79 OGA (0.37) OGAHRH3NUDT1
SCHEMBL12402348 0.74 CYP3A4 (0.37) CHEK1ENPP2MKNK1MKNK2CYP3A4
SCHEMBL18708314 0.74 CHEK1 (0.39) CHEK1ENPP2MKNK1MKNK2CYP3A4
SCHEMBL9925916 0.74 L3MBTL1 (0.39) CHEK1ENPP2MKNK1MKNK2CYP3A4
SCHEMBL18708315 0.74 LMNA (0.43) CHEK1ENPP2MKNK1MKNK2CYP3A4
SCHEMBL29956042 0.73 CHEK1 (0.37) CHEK1ENPP2MKNK1MKNK2CYP3A4
SCHEMBL31216537 0.72 CHEK1 (0.48) CHEK1CYP1A2
SCHEMBL19309238 0.72 LMNA (0.33) CHEK1CYP3A4CYP11B1CYP11B2LMNA
SCHEMBL3563236 0.71 CHEK1 (0.47) CHEK1ENPP2MKNK1MKNK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100762-B1 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2004-03-10 EP disclosed
US-6468979-B1 ERYTHROMYCIN DERIVATIVES WITH BIHETEROCYCLIC GROUP AS SUBSTITUENT AT END OF CHAIN HAVE PARTICULARLY BROAD SPECTRUM OF ACTIVITY AND LONG DURATION OF ACTION ZAMBON GROUP S.P.A. (IT) 2002-10-22 US disclosed
EP-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed