SCHEMBL19251612

SCHEMBL19251612

CC(Nc1ncnc2[nH]cnc12)C1=Nc2ncccc2SN1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.38
PIK3R1 P27986 13/20 0.38
PIK3CB P42338 5/20 0.35
PIK3CG P48736 5/20 0.35
PIK3CA P42336 4/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB11 O95342 1/20 0.31
TBXA2R P21731 1/20 0.31
HTR2A P28223 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL19252622 1.00 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251467 0.88 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251396 0.87 PIK3CD (0.45) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251611 0.83 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252623 0.83 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251603 0.83 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251472 0.83 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251404 0.83 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252655 0.81 LMNA (0.35) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251604 0.81 LMNA (0.35) 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