SCHEMBL24629319

SCHEMBL24629319

Nc1cnc2nc(N)nc(O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.42
ADORA2A P29274 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
NOS1 P29475 1/20 0.33
DHFR P00374 2/20 0.32
CA9 Q16790 1/20 0.31

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
Xanthopterin SCHEMBL906220 0.84 PIK3CG (0.46) PIK3CGADORA2APIK3CAPIK3CBHDAC6
Xanthopterin SCHEMBL6475885 0.82 PIK3CG (0.45) PIK3CGADORA2APIK3CAPIK3CBHDAC6
SCHEMBL6239850 0.81 PIK3CG (0.41) PIK3CGADORA2APIK3CAPIK3CBHDAC6
SCHEMBL25899100 0.80 HSD17B10 (0.39) PIK3CGADORA2APIK3CAPIK3CBHDAC6
SCHEMBL3692533 0.79 ADORA2A (0.57) PIK3CGADORA2APIK3CAPIK3CBHDAC6
SCHEMBL16023555 0.78 NOS1 (0.40) PIK3CGCA1CA2NOS1DHFR
SCHEMBL15075219 0.77 NOS1 (0.45) NOS1DHFR
Pterin-6-Carboxylic Acid SCHEMBL13820952 0.77 DHFR (0.45) PIK3CGADORA2APIK3CAPIK3CBHDAC6
Pterin-6-Carboxylic Acid SCHEMBL31438602 0.77 DHFR (0.45) PIK3CGADORA2APIK3CAPIK3CBHDAC6
SCHEMBL23270838 0.77 PIK3CG (0.38) PIK3CGADORA2APIK3CAPIK3CBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272307-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022150721-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed