SCHEMBL31087253

SCHEMBL31087253

Nc1nc(N)c2ncc(CO)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.50
ADORA2A P29274 1/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS1 P29475 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL11327528 1.00 PIK3CG (0.50) PIK3CGADORA2AMEN1ALDH1A1MAPT
SCHEMBL30311333 0.86 NOS1 (0.54) PIK3CGNOS1CA1CA2
SCHEMBL64019 0.86 NOS1 (0.54) PIK3CGNOS1CA1CA2
Hydrochloric Acid SCHEMBL29568011 0.84 NOS1 (0.52) NOS1CA1CA2
Bromide SCHEMBL62895 0.84 NOS1 (0.52) NOS1CA1CA2
Bromide SCHEMBL29695408 0.84 NOS1 (0.52) NOS1CA1CA2
Hydrochloric Acid SCHEMBL3101407 0.84 NOS1 (0.52) NOS1CA1CA2
SCHEMBL14208400 0.84 ADORA2A (0.50) PIK3CGADORA2AMEN1ALDH1A1MAPT
SCHEMBL30965440 0.84 ADORA2A (0.50) PIK3CGADORA2AMEN1ALDH1A1MAPT
SCHEMBL14208399 0.84 ADORA2A (0.50) PIK3CGADORA2AMEN1ALDH1A1MAPT

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
CN-118624788-A Method for detecting 2, 4-diamino-6-hydroxymethyl pteridine and position isomer thereof 重庆凯林制药有限公司 2024-09-10 CN disclosed