SCHEMBL30375110

SCHEMBL30375110

Fc1cccc(-c2cc3ncccn3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
FYN P06241 3/20 0.44
KMO O15229 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CLK4 Q9HAZ1 3/20 0.43
JAK2 O60674 2/20 0.43
RET P07949 2/20 0.43
KDR P35968 2/20 0.43
GSK3A P49840 2/20 0.43
RPS6KA3 P51812 2/20 0.43
LIMK1 P53667 2/20 0.43
MAP2K1 Q02750 2/20 0.43
ALK Q9UM73 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
MAP4K4 O95819 2/20 0.43
PRKACA P17612 2/20 0.43
GSK3B P49841 2/20 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
SCHEMBL5060955 0.86 APOBEC3A (0.49) GRM5APOBEC3AAPOBEC3GFYNCLK4
SCHEMBL1665644 0.85 APOBEC3A (0.54) APOBEC3AAPOBEC3GCLK4JAK2RET
SCHEMBL30033563 0.82 BACE1 (0.47) APOBEC3AAPOBEC3GFYNKMOCLK4
SCHEMBL23535604 0.82 CLK4 (0.63) GRM5FYNKMOCLK4JAK2
SCHEMBL1348539 0.81 KDM4E (0.49) APOBEC3AAPOBEC3GKMODYRK1BLMNA
SCHEMBL1015835 0.79 DYRK1A (0.62) APOBEC3AAPOBEC3GFYNCLK4JAK2
SCHEMBL30708692 0.78 APOBEC3A (0.61) APOBEC3AAPOBEC3GCLK4JAK2RET
SCHEMBL25768021 0.78 FYN (0.43) FYNKMOPDE10ALMNAMAPT
Hydrochloric Acid SCHEMBL25276515 0.78 DYRK1A (0.60) APOBEC3AAPOBEC3GFYNCLK4JAK2
SCHEMBL2971288 0.77 CYP2A6 (0.50) APOBEC3AAPOBEC3GFYNKMOCLK4

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-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 CN disclosed