SCHEMBL9475437

SCHEMBL9475437

CNc1nc(N)nc2c1nnn2Cc1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.61
ADORA2A P29274 11/20 0.61
ADORA2B P29275 11/20 0.61
ADORA1 P30542 11/20 0.61
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL9476117 0.87 ALDH1A1 (0.74) ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL9476250 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4046227 0.81 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL9476091 0.81 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL9476396 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1LMNA
SCHEMBL9475939 0.79 ADORA3 (0.60) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL9739023 0.79 PDE4A (0.72) ADORA2AADORA1
SCHEMBL9477122 0.77 ALDH1A1 (0.64) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL4046208 0.77 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4048848 0.76 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP claimed
EP-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP claimed
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
EP-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP disclosed