SCHEMBL19251473

SCHEMBL19251473

CC(Sc1ncnc2[nH]cnc12)C1=Nc2ccccc2SN1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.33
PIK3R1 P27986 5/20 0.33
PAK1 Q13153 1/20 0.32
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CA P42336 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19251396 0.81 PIK3CD (0.45) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251474 0.80 PIK3CD (0.33) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251628 0.77 PIK3R1 (0.56) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251398 0.74 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251404 0.73 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251401 0.72 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252623 0.72 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251611 0.72 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251388 0.71 PIK3R1 (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251390 0.70 PIK3R1 (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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