SCHEMBL798820

SCHEMBL798820

Cc1nccn1Cc1cc(N)nc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.46
KCNH2 Q12809 6/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
WDR5 P61964 3/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL798853 0.89 LMNA (0.62) LMNAL3MBTL1TSHRKCNH2ALDH1A1
SCHEMBL31039336 0.79 LMNA (0.51) LMNAL3MBTL1KCNH2WDR5
SCHEMBL21712010 0.78 LMNA (0.50) LMNAL3MBTL1WDR5GRM2
SCHEMBL31270697 0.75 LMNA (0.74) LMNAL3MBTL1KCNH2ALDH1A1POLB
SCHEMBL21712022 0.75 WDR5 (0.47) LMNAL3MBTL1WDR5
SCHEMBL277927 0.74 LMNA (0.64) LMNAL3MBTL1TSHRKCNH2ALDH1A1
SCHEMBL2950629 0.73 LMNA (0.71) LMNAL3MBTL1KCNH2ALDH1A1POLB
SCHEMBL12291554 0.72 MAPKAPK2 (0.39) LMNAL3MBTL1TSHRWDR5
SCHEMBL20097939 0.71 TSHR (0.71) LMNAL3MBTL1TSHRKCNH2ALDH1A1
SCHEMBL81625 0.71 LMNA (0.63) LMNAL3MBTL1ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed