SCHEMBL27775937

SCHEMBL27775937

COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(-c5nc[nH]n5)cc4)nc32)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 9/20 0.79
▸ CSNK2A2 P19784 1/20 0.67
▸ CSNK2B P67870 1/20 0.67
▸ NPSR1 Q6W5P4 4/20 0.65
▸ MAPT P10636 3/20 0.65
▸ USP2 O75604 3/20 0.65
▸ TSHR P16473 3/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ TP53 P04637 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ KDM4E B2RXH2 6/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ BRCA1 P38398 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ GLA P06280 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL27796443 0.96 CSNK2A1 (0.76) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL28016577 0.90 CSNK2A1 (0.89) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL27796442 0.89 CSNK2A1 (0.84) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL22400129 0.88 CSNK2A1 (0.79) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL27796480 0.87 CSNK2A1 (0.81) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL27796481 0.87 CSNK2A1 (0.81) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL27796440 0.86 CSNK2A1 (0.80) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL27796450 0.86 CSNK2A1 (0.76) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL27775383 0.86 CSNK2A1 (0.79) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT
SCHEMBL28015906 0.85 CSNK2A1 (0.89) CSNK2A1CSNK2A2CSNK2BNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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