SCHEMBL4667104

SCHEMBL4667104

CC(C)(C)N1CCC(Oc2c(Br)ccc3cnc(Cl)nc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.32
FLT3 P36888 1/20 0.32
TACR3 P29371 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
MAPK14 Q16539 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL31574173 0.83 ABL1 (0.33) MCHR1
SCHEMBL1634644 0.82 NPBWR1 (0.52) NPBWR1MCHR1
SCHEMBL25329391 0.82 MCHR1 (0.35) MCHR1
SCHEMBL4667180 0.81 IKBKB (0.37) NPBWR1MCHR1
SCHEMBL25328412 0.81
SCHEMBL38652759 0.72 NQO2 (0.45)
SCHEMBL38652565 0.69 MEN1 (0.35) NPBWR1MCHR1
SCHEMBL25331371 0.69 NPBWR1 (0.30) NPBWR1MCHR1
SCHEMBL30515541 0.69 NPBWR1 (0.30) NPBWR1MCHR1
SCHEMBL25330376 0.69 MCHR1 (0.36) MCHR1

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
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed