SCHEMBL19183441

SCHEMBL19183441

COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 1.00
MTOR P42345 17/20 1.00
PIK3CD O00329 9/20 0.55
PIK3CB P42338 9/20 0.55
PIK3CG P48736 9/20 0.55
RPTOR Q8N122 1/20 0.55
MLST8 Q9BVC4 1/20 0.55
SYK P43405 2/20 0.52
MAP3K9 P80192 2/20 0.52
PIK3C2A O00443 1/20 0.52
PIK3C2B O00750 1/20 0.52
STK10 O94804 1/20 0.52
PAK4 O96013 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
FGR P09769 1/20 0.52
FER P16591 1/20 0.52
PRKCA P17252 1/20 0.52
JAK1 P23458 1/20 0.52
TEC P42680 1/20 0.52

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
SCHEMBL29381726 1.00 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4439910 0.82 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4439768 0.80 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL19849181 0.80 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25392770 0.79 MTOR (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4556012 0.78 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4441057 0.77 MTOR (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4441460 0.76 MTOR (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4447636 0.76 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17555342 0.76 MTOR (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US claimed
US-20190070166-A1 Optimized Method for Treating and Curing Arthritis, Diabetes, Multiple Sclerosis and Other Autoimmune Disease POSTREL RICHARD (US) 2019-03-07 US claimed
US-11318139-B2 Methods for treating brain metastases using combinations of anti-P13K and anti-mTOR agents DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-03 US disclosed
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US disclosed
US-20190070166-A1 Optimized Method for Treating and Curing Arthritis, Diabetes, Multiple Sclerosis and Other Autoimmune Disease POSTREL RICHARD (US) 2019-03-07 US disclosed
US-20190015422-A1 METHODS FOR TREATING BRAIN METASTASES USING COMBINATIONS OF ANTI-P13K AND ANTI-mTOR AGENTS DANA-FARBER CANCER INSTITUTE, INC. 2019-01-17 US disclosed
WO-2017132235-A1 METHODS FOR TREATING BRAIN METASTASES USING COMBINATIONS OF ANTI-P13K AND ANTI-mTOR AGENTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-03 WO disclosed