SCHEMBL6672882

SCHEMBL6672882

COc1ccc(Cn2cnc(O)c3nc(C(C)(C)OCc4ccc(F)cc4)nc2-3)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.40
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALOX12 P18054 2/20 0.34
HPGD P15428 1/20 0.34

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 0.92 CSF1R (0.43) CSF1RKDM4EMAPK1ALDH1A1LMNA
SCHEMBL6674256 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7381211 0.89 CSF1R (0.44) CSF1RATML3MBTL1PDE4APDE4B
SCHEMBL6673334 0.88 MAPK1 (0.45) CSF1RKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6677680 0.88 MET (0.44) L3MBTL1KDM4EMAPTMAPK1ALDH1A1
SCHEMBL6672646 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672886 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740523 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740548 0.81 CSF1R (0.39) CSF1RPDE4APDE4BPDE4CPDE4D
SCHEMBL7380972 0.80 CSF1R (0.44) CSF1RKDM4EMAPK1ALDH1A1LMNA

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 9 patents. 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
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed