SCHEMBL300882

SCHEMBL300882

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C3CCCC3)nc21

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
KDM4E B2RXH2 6/20 0.66
HPGD P15428 4/20 0.66
ALDH1A1 P00352 3/20 0.61
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 3/20 0.49
USP2 O75604 3/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
BRCA1 P38398 1/20 0.49
MAPT P10636 2/20 0.46
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45

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
SCHEMBL300815 0.87 KDM4E (0.60) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL27775901 0.82 LMNA (0.79) LMNAKDM4EHPGDALDH1A1GAA
SCHEMBL19207413 0.80 KDM4E (0.74) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL28298221 0.80 KDM4E (0.44) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL15643571 0.80 KDM4E (0.60) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL300906 0.80 KDM4E (0.60) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL301305 0.80 KDM4E (0.60) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL300905 0.80 KDM4E (0.60) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL28348969 0.79 KDM4E (0.55) LMNAKDM4EHPGDALDH1A1GLA
SCHEMBL301230 0.79 KDM4E (0.56) LMNAKDM4EHPGDALDH1A1GLA

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
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 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