SCHEMBL27776131

SCHEMBL27776131

COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(Nc4cccc(O)c4)nc32)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.60
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 4/20 0.55
BRCA1 P38398 2/20 0.55
USP2 O75604 3/20 0.51
MAPK1 P28482 3/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
ESR1 P03372 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
PIK3CD O00329 3/20 0.49
PIK3CA P42336 3/20 0.49

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
SCHEMBL27796463 0.92 CSNK2A1 (0.61) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27775418 0.89 CSNK2A1 (0.58) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27775980 0.86 CSNK2A1 (0.61) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL300795 0.85 KDM4E (0.59) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27775317 0.83 CSNK2A1 (0.81) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27775404 0.82 CSNK2A1 (0.59) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27775389 0.82 CSNK2A1 (0.62) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27796506 0.81 CSNK2A1 (0.53) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27796442 0.80 CSNK2A1 (0.84) CSNK2A1HSD17B10KDM4EBRCA1USP2
SCHEMBL27775430 0.78 XDH (0.50) CSNK2A1USP2MAPK1TSHRALDH1A1

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 5 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