SCHEMBL6677680

SCHEMBL6677680

COc1ccc(Cn2cnc(O)c3nc(C(C)(C)OCc4ccc(F)cc4)nc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
BRCA1 P38398 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
CNR2 P34972 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6673814 0.79 CSF1R (0.43) KDM4EALDH1A1TSHRHSD17B10MAPK1
SCHEMBL7381211 0.76 CSF1R (0.44) KDM4EALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL6675788 0.73 HSP90AA1 (0.43) METKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL6677681 0.70 MET (0.46) METKDM4EALDH1A1USP2CYP1A2
SCHEMBL7372773 0.70 KDM4E (0.38) KDM4EALDH1A1TSHRHSD17B10MAPK1
SCHEMBL7373829 0.70 PDE4A (0.48)
Hydrochloric Acid SCHEMBL7738907 0.69 PDE4A (0.48)
SCHEMBL7742229 0.69 PDE4A (0.51)
SCHEMBL7372770 0.69
Hydrochloric Acid SCHEMBL7742150 0.68 PDE4A (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP claimed