SCHEMBL27612727

SCHEMBL27612727

N#Cc1cccc(N)c1.Nc1nc(N)c(F)c(-c2cccc(O)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.54
▸ ADORA1 P30542 9/20 0.54
▸ ADORA2B P29275 5/20 0.54
▸ CHUK O15111 2/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ PIK3CG P48736 5/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3C2B O00750 1/20 0.46
▸ PDXK O00764 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ PIP5K1C O60331 1/20 0.46
▸ STK16 O75716 1/20 0.46
▸ PIK3C2G O75747 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ OXSR1 O95747 1/20 0.46
▸ LATS1 O95835 1/20 0.46

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
SCHEMBL27612525 0.86 ADORA2A (0.63) ADORA2AADORA1ADORA2BCHUKPIK3CG
SCHEMBL1116418 0.85 PIK3CG (0.60) ADORA2AADORA1ADORA2BCHUKIKBKB
SCHEMBL12137467 0.81 ADORA1 (0.59) ADORA2AADORA1ADORA2BCHUKIKBKB
SCHEMBL27631687 0.79 ADORA2A (0.45) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
Hydrochloric Acid SCHEMBL27631852 0.78 ADORA2A (0.44) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL27612700 0.76 ADORA1 (0.79) ADORA2AADORA1ADORA2BCHUKIKBKB
SCHEMBL27612968 0.76 PIK3CG (0.50) ADORA2AADORA1ADORA2BCHUKIKBKB
SCHEMBL12135604 0.75 ADORA1 (0.60) ADORA2AADORA1ADORA2BCHUKIKBKB
SCHEMBL27631865 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA2BCHUKIKBKB
SCHEMBL12137663 0.74 ADORA2A (0.56) ADORA2AADORA1ADORA2BCHUKIKBKB

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-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 — — CN disclosed
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