SCHEMBL6673801

SCHEMBL6673801

CCn1cnc(S)c2ncnc1-2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
ADORA1 P30542 2/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
LMNA P02545 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL6672679 0.83 LMNA (0.46) ADORA2AADORA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6675408 0.82 LMNA (0.42) ADORA2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6675467 0.80 SMN1; SMN2 (0.33) ADORA2AADORA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6672660 0.80 LMNA (0.41) ADORA2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6676134 0.78 RAB9A (0.37) ALDH1A1SMN1; SMN2LMNA
SCHEMBL6673124 0.78 ADORA2A (0.39) ADORA2AADORA1PI4KAPI4K2BPI4K2A
3-Ethyladenine SCHEMBL48200 0.78 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6673242 0.74 CDK1 (0.32) CDK1CCNB1CCNE1CDK2
3-Ethyladenine SCHEMBL27631025 0.71 ADORA2A (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6673569 0.69 PDE10A (0.32)

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 8 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
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