SCHEMBL19251604

SCHEMBL19251604

C[C@H](Nc1ncnc2[nH]cnc12)C1=Cc2ncccc2SN1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 17/20 0.35
PIK3R1 P27986 9/20 0.33
PIK3CG P48736 6/20 0.33
PIK3CB P42338 5/20 0.33
PIK3CA P42336 4/20 0.33
ABCB11 O95342 1/20 0.31
TBXA2R P21731 1/20 0.31
HTR2A P28223 1/20 0.31
PDE3A Q14432 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
DYRK1A Q13627 2/20 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
SCHEMBL19252655 1.00 LMNA (0.35) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19251410 0.88 LMNA (0.36) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19252667 0.88 LMNA (0.36) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19252656 0.84 PIK3CD (0.37) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19251415 0.84 PIK3CD (0.37) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19252664 0.83 PIK3CD (0.40) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19252658 0.83 PIK3CD (0.40) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19252622 0.81 PIK3CD (0.38) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19251612 0.81 PIK3CD (0.38) LMNASMN1; SMN2HSD17B10PIK3CDPIK3R1
SCHEMBL19252652 0.80 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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