SCHEMBL1633770

SCHEMBL1633770

N#Cc1cc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc2cc1OC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 16/20 0.52
JAK2 O60674 9/20 0.52
LRRK2 Q5S007 4/20 0.49
IKBKE Q14164 1/20 0.46

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
SCHEMBL12725013 0.92 LRRK2 (0.46) TBK1JAK2LRRK2
SCHEMBL1634987 0.88 MAPK10 (0.50) JAK2LRRK2
SCHEMBL1633627 0.88 LRRK2 (0.49) JAK2LRRK2
SCHEMBL1633826 0.87 TBK1 (0.62) TBK1JAK2LRRK2IKBKE
SCHEMBL1636472 0.84 LRRK2 (0.49) JAK2LRRK2
SCHEMBL1633941 0.83 LRRK2 (0.43) JAK2LRRK2
SCHEMBL1632738 0.81 JAK2 (0.59) JAK2LRRK2
SCHEMBL1633593 0.80 MAPK10 (0.46) TBK1JAK2LRRK2
SCHEMBL1633664 0.79 TBK1 (0.52) TBK1JAK2LRRK2
SCHEMBL1633134 0.78 BTK (0.52) JAK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed