SCHEMBL28950096

SCHEMBL28950096

OC(Cc1ccc(F)cc1)c1ncnc2c1ncn2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.53
▸ PI4KA P42356 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ DAPK1 P53355 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ SLC29A1 Q99808 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43

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
SCHEMBL28950108 0.93 ADORA2A (0.60) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950091 0.85 HPGD (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30214724 0.84 ADORA2A (0.59) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950101 0.81 ADORA2A (0.55) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950083 0.80 ADORA2A (0.60) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950116 0.78 ADORA2A (0.52) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950084 0.78 ADORA2A (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950110 0.76 ADORA2A (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28950090 0.76 ADORA2A (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6659705 0.74 HDAC6 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB

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-115677807-A 6-position alpha-hydroxyalkylated purine compounds and methods for modification thereof 鲁东大学 2023-02-03 — — CN disclosed
Send feedback