SCHEMBL7785903

SCHEMBL7785903

COC(=O)Oc1cncnc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 2/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
EGFR P00533 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CUL4A Q13619 2/20 0.31
GLA P06280 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL7787933 0.79 HCAR2 (0.35)
SCHEMBL7780833 0.78 MEN1 (0.31) TSHR
SCHEMBL8983616 0.77
SCHEMBL1465185 0.70 KDM4E (0.43) HSD17B10KDM4EMAPTALDH1A1HTT
SCHEMBL7996741 0.70 KDR (0.49) HSD17B10HPGDCYP3A4ALOX15CYP2C19
SCHEMBL30420965 0.67 L3MBTL1 (0.42) HSD17B10KDM4EHPGDCYP3A4ALOX15
SCHEMBL4634558 0.67 KDM4E (0.51) HSD17B10KDM4EHPGDMAPTALDH1A1
SCHEMBL19127706 0.67 CYP3A4 (0.47) HSD17B10KDM4EHPGDCYP3A4ALOX15
SCHEMBL9408875 0.66 MEN1 (0.41) HSD17B10KDM4ECYP3A4MAPTALDH1A1
SCHEMBL9319778 0.66 KDM4E (0.41) HSD17B10KDM4EHPGDMAPTALDH1A1

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
WO-2001085715-A2 AZA- AND POLYAZANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-11-15 WO disclosed
EP-0964855-B1 PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES LONZA AG (CH) 2001-10-17 EP disclosed
EP-0964855-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES LONZA A.G. (CH) 1999-12-22 EP disclosed
WO-1998030549-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES LONZA AG (CH) 1998-07-16 WO disclosed