SCHEMBL4047082

SCHEMBL4047082

CCCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.70
PIK3CB P42338 16/20 0.70
PIK3CG P48736 16/20 0.70
PIK3CA P42336 15/20 0.70
PIK3R1 P27986 1/20 0.53
CSNK2A1 P68400 2/20 0.51

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
SCHEMBL28016603 0.86 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL300868 0.85 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R1
SCHEMBL300894 0.84 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R1
SCHEMBL300729 0.80 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R1
SCHEMBL297655 0.80 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL296157 0.80 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301165 0.80 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300823 0.79 PIK3CD (0.90) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R1
SCHEMBL11939631 0.77 PIK3CD (0.82) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL19207491 0.77 CSNK2A1 (0.49) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R1

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
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN claimed
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-103857804-A Identification of gene expression profiles as predictive biomarkers for LKB1 status SIGNAL PHARM LLC 2014-06-11 CN disclosed
CN-101679432-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2010-03-24 CN disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed