SCHEMBL27631865

SCHEMBL27631865

Nc1ccccc1-c1ccccc1.Nc1nc(N)c(F)c(-c2cccc(O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.51
▸ ADORA1 P30542 4/20 0.51
▸ ADORA2B P29275 2/20 0.51
▸ PIK3CG P48736 5/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CB P42338 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ CSNK1D P48730 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ BRSK1 Q8TDC3 2/20 0.49
▸ SRPK1 Q96SB4 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ MKNK2 Q9HBH9 2/20 0.49
▸ DYRK1B Q9Y463 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3C2B O00750 1/20 0.49
▸ PDXK O00764 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ MAP3K7 O43318 1/20 0.49
▸ RIPK2 O43353 1/20 0.49

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
SCHEMBL27612430 0.91 ADORA2A (0.47) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL27631997 0.89 ADORA2A (0.46) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL1116418 0.88 PIK3CG (0.60) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL27631996 0.82 DCPS (0.48) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL27612968 0.79 PIK3CG (0.50) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL27631757 0.76 ADORA2A (0.49) ADORA2AADORA1ADORA2BPIK3CGCLK4
SCHEMBL27612323 0.76 CSNK1A1 (0.55) ADORA2AADORA1ADORA2BPIK3CGCLK4
SCHEMBL27631682 0.76 ADORA1 (0.61) ADORA2AADORA1ADORA2BPIK3CGPIK3CA
SCHEMBL27716588 0.74 CSNK1A1 (0.53) ADORA2AADORA1ADORA2BPIK3CGCLK4
SCHEMBL688714 0.74 ALDH1A1 (0.58) ADORA1FLT3CSNK1DDYRK1ABRSK1

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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