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SCHEMBL19251485

SCHEMBL19251485

CC(C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1)n1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 1.00
▸ PIK3R1 P27986 10/20 1.00
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL19251484 0.93 PIK3CD (1.00) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL19252977 0.86 PIK3CD (1.00) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL19252972 0.83 PIK3CD (1.00) PIK3CDPIK3R1
SCHEMBL19252980 0.79 PIK3CD (0.81) PIK3CDPIK3R1
SCHEMBL19251465 0.78 PIK3CD (0.64) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL19251468 0.78 PIK3CD (0.63) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL19251475 0.75 PIK3CD (0.61) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL19251419 0.70 PIK3R1 (0.77) PIK3CDPIK3R1
SCHEMBL19251463 0.70 PIK3CD (0.64) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL19251466 0.69 PIK3CD (0.52) PIK3CDPIK3R1ADORA2AADORA2BADORA1

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
WO-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 — — WO disclosed