SCHEMBL11754530

SCHEMBL11754530

Cn1cnc2c1c(=O)n(CCI)c(=O)n2C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.69
▸ BLM P54132 2/20 0.65
▸ GLA P06280 1/20 0.65
▸ ADORA2A P29274 3/20 0.63
▸ ACHE P22303 2/20 0.63
▸ PIK3CD O00329 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ CNR1 P21554 1/20 0.63
▸ ADORA1 P30542 1/20 0.63
▸ NTSR1 P30989 1/20 0.63
▸ MC3R P41968 1/20 0.63
▸ NOTUM Q6P988 1/20 0.63
▸ SIRT3 Q9NTG7 1/20 0.63
▸ GDA Q9Y2T3 1/20 0.63
▸ NR2E1 Q9Y466 1/20 0.63
▸ PDE4A P27815 3/20 0.63
▸ PDE4B Q07343 3/20 0.63
▸ PDE4C Q08493 3/20 0.63
▸ PDE4D Q08499 3/20 0.63

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
SCHEMBL11355557 0.91 ADORA2B (0.67) ADORA2BBLMGLAADORA2AACHE
Bisdionin B SCHEMBL29896692 0.90 ADORA2B (0.74) ADORA2BBLMGLAADORA2AACHE
SCHEMBL7384278 0.89 ADORA2B (0.68) ADORA2BBLMGLAADORA2AACHE
Bisdionin C SCHEMBL10018600 0.87 CHIT1 (0.75) ADORA2BBLMGLAADORA2AACHE
Bisdionin D SCHEMBL16120988 0.87 ADORA2B (0.79) ADORA2BBLMGLAADORA2AACHE
SCHEMBL315740 0.86 ADORA2B (0.82) ADORA2BBLMGLAADORA2AACHE
SCHEMBL16120981 0.86 ADORA2B (0.77) ADORA2BBLMGLAADORA2AACHE
SCHEMBL10018599 0.85 ADORA2B (0.72) ADORA2BBLMGLAADORA2AACHE
SCHEMBL25297970 0.84 ADORA2B (0.67) ADORA2BBLMGLAADORA2AACHE
SCHEMBL7384282 0.84 ADORA2B (0.69) ADORA2BBLMGLAADORA2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912598-B Nucleoside derivative for preventing and treating inflammatory reaction and application thereof 四川大学华西医院 2022-09-13 — — CN disclosed
WO-2020192665-A1 NUCLEOSIDE DERIVATIVE FOR PREVENTING AND TREATING INFLAMMATION AND APPLICATION THEREOF 四川大学华西医院 2020-10-01 — — WO disclosed
CN-109912598-A Nucleoside derivate and its application for preventing and treating inflammatory reaction 四川大学华西医院 2019-06-21 — — CN disclosed
US-4060618-A Quaternary xanthinylalkyl nortropine DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-11-29 — — US disclosed
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