SCHEMBL9201051

SCHEMBL9201051

CC(=O)C(O)c1cnc2nc(N)nc(O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
PIK3CG P48736 3/20 0.34
DHFR P00374 3/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADORA2A P29274 2/20 0.30
ADORA1 P30542 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
SCHEMBL25899100 0.80 HSD17B10 (0.39) HSD17B10PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL4361085 0.79 HSD17B10 (0.48) HSD17B10PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL11628253 0.77 PIK3CG (0.35) HSD17B10PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL24629319 0.74 PIK3CG (0.42) PIK3CGDHFRPIK3CAPIK3CBHDAC6
SCHEMBL11301495 0.74 HSD17B10 (0.38) HSD17B10PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL6239850 0.72 PIK3CG (0.41) PIK3CGDHFRPIK3CAPIK3CBHDAC6
Xanthopterin SCHEMBL906220 0.71 PIK3CG (0.46) PIK3CGDHFRPIK3CAPIK3CBHDAC6
Pterin-6-Carboxylic Acid SCHEMBL31438602 0.71 DHFR (0.45) HSD17B10PIK3CGDHFRPIK3CAPIK3CB
Pterin-6-Carboxylic Acid SCHEMBL13820952 0.71 DHFR (0.45) HSD17B10PIK3CGDHFRPIK3CAPIK3CB
Xanthopterin SCHEMBL6475885 0.70 PIK3CG (0.45) PIK3CGDHFRPIK3CAPIK3CBHDAC6

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-0318926-B1 Intermediates for synthesizing 5,6,7,8-tetrahydro-L-erythro-biopterin and its derivatives VITAMIN KENKYUSHO KK (JP) 1995-05-03 EP claimed
EP-0318926-A2 Intermediates for synthesizing 5,6,7,8-tetrahydro-L-erythro-biopterin and its derivatives Kabushiki Kaisha Vitamin Kenkyusyo (JP) 1989-06-07 EP claimed
JP-1320993-A None JP disclosed
EP-0318926-B1 Intermediates for synthesizing 5,6,7,8-tetrahydro-L-erythro-biopterin and its derivatives VITAMIN KENKYUSHO KK (JP) 1995-05-03 EP disclosed
US-5037981-A Intermediates for synthesizing BH4 and its derivatives KABUSHIKI KAISHA VITAMIN KENKYUSO (JP) 1991-08-06 US disclosed
US-4937342-A Intermediates for synthesizing BH4 and its derivatives KABUSHIKI KAISHA VITAMIN KENKYUSYO (JP) 1990-06-26 US disclosed
JP-H01320993-A PRODUCTION OF L-BIOPTERIN BITAMIN KENKYUSHO:KK 1989-12-27 JP disclosed
EP-0318926-A2 Intermediates for synthesizing 5,6,7,8-tetrahydro-L-erythro-biopterin and its derivatives Kabushiki Kaisha Vitamin Kenkyusyo (JP) 1989-06-07 EP disclosed