SCHEMBL28361049

SCHEMBL28361049

Cc1cc(-c2[c]ccc(F)c2)cc(F)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.33
▸ ADORA1 P30542 5/20 0.33
▸ ADORA2B P29275 1/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL28360899 0.91 ADORA2A (0.38) ADORA2AADORA1ADORA2BGRM5KMT2A
SCHEMBL28360928 0.84 ADORA2A (0.44) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL9649735 0.77 ACHE (0.35) —
SCHEMBL7024108 0.77 DYRK1A (0.40) —
SCHEMBL9784283 0.75 ACHE (0.30) —
SCHEMBL4453497 0.74 NOTUM (0.32) —
SCHEMBL28357412 0.74 ADORA2A (0.32) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL9648734 0.73 ACHE (0.41) PTGS2KMT2A
SCHEMBL9649334 0.72 CYP3A4 (0.33) —
SCHEMBL5797082 0.70 MAOB (0.35) PTGS2

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
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 — — CN claimed
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 — — CN disclosed
Send feedback