SCHEMBL300940

SCHEMBL300940

NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.81
PIK3CB P42338 8/20 0.81
PIK3CG P48736 8/20 0.81
PIK3CA P42336 7/20 0.81
CSNK2A1 P68400 10/20 0.65
MAPT P10636 1/20 0.58
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL11939631 0.87 PIK3CD (0.82) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300812 0.85 CSNK2A1 (0.81) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300865 0.85 PIK3CD (0.84) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301340 0.84 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300833 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300970 0.82 PIK3CD (0.77) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28028873 0.82 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301171 0.82 PIK3CD (0.75) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL27775317 0.81 CSNK2A1 (0.81) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300847 0.81 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN claimed
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed
CN-107976546-B Inhibition of phosphorylation of TOR kinase inhibitory Activity markers PRAS40, GSK 3-beta, or P70S6K1 西格诺药品有限公司 2020-10-27 CN disclosed
CN-110721186-A Treatment of prostate cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-24 CN disclosed
CN-107157990-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-07 CN disclosed
CN-105039520-A Identification of gene expression profile as a predictive biomarker for lkb1 status SIGNAL PHARM LLC 2015-11-11 CN disclosed
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN disclosed
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-103857804-A Identification of gene expression profiles as predictive biomarkers for LKB1 status SIGNAL PHARM LLC 2014-06-11 CN disclosed
CN-102821767-A IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARM LLC 2012-12-12 CN disclosed
CN-101679432-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2010-03-24 CN disclosed