SCHEMBL21096715

SCHEMBL21096715

Cc1nc(NC=O)sc1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.75
PIK3CG P48736 10/20 0.75
PI4KB Q9UBF8 7/20 0.75
PIK3C3 Q8NEB9 4/20 0.75
PIK3CA P42336 4/20 0.75
PIK3CB P42338 3/20 0.75
PIK3C2A O00443 1/20 0.75
PIK3C2B O00750 1/20 0.75
PI4KA P42356 1/20 0.75
PRKDC P78527 1/20 0.75
GSTO1 P78417 1/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.40

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
SCHEMBL29373332 0.86 PIK3CD (1.00) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL48649 0.86 PIK3CD (1.00) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL2396076 0.83 PIK3CD (0.72) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL2397554 0.83 PIK3CD (0.70) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL2400053 0.81 PIK3CD (0.68) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL2396778 0.81 PIK3CD (0.68) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL2396759 0.81 PIK3CD (0.67) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL2393804 0.81 PIK3CD (0.67) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL48625 0.74 PIK3CD (0.67) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA
SCHEMBL14851735 0.74 PIK3CD (0.77) PIK3CDPIK3CGPI4KBPIK3C3PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202830-A2 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
WO-2020146657-A1 PI4-KINASE INHIBITORS WITH ANTI-CANCER ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-07-16 WO disclosed
WO-2019118830-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2019-06-20 WO disclosed