SCHEMBL1633119

SCHEMBL1633119

Clc1cc(Nc2ncc3ccc(NC4CCNCC4)cc3n2)ccc1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.57
MAPK8 P45983 5/20 0.54
JAK2 O60674 4/20 0.54
ABL1 P00519 4/20 0.54
RET P07949 4/20 0.54
MAP4K2 Q12851 4/20 0.54
NTRK2 Q16620 4/20 0.54
PAK4 O96013 3/20 0.54
LTK P29376 3/20 0.54
MAP2K1 Q02750 3/20 0.54
MST1R Q04912 3/20 0.54
PTK2 Q05397 3/20 0.54
ROCK1 Q13464 3/20 0.54
LRRK2 Q5S007 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
ALK Q9UM73 3/20 0.54
TNK2 Q07912 3/20 0.54
CSNK1A1 P48729 2/20 0.54
CDK5 Q00535 2/20 0.54
LCK P06239 2/20 0.54

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
SCHEMBL12724504 0.89 SYK (0.57) SYKMAPK8JAK2ABL1RET
SCHEMBL1634798 0.85 SYK (0.53) SYKMAPK8JAK2ABL1RET
SCHEMBL1633134 0.79 BTK (0.52) SYKJAK2PTK2LRRK2MAPK10
SCHEMBL1632135 0.79 JAK3 (0.49) SYKMAPK8JAK2ABL1RET
SCHEMBL1633271 0.76 MAP4K1 (0.57) SYKMAPK8CDK5MAPK10CDK4
SCHEMBL1634297 0.76 SYK (0.52) SYKJAK2LRRK2MAPK10CDK4
SCHEMBL1632096 0.76 JAK2 (0.59) SYKMAPK8JAK2ABL1RET
SCHEMBL1633122 0.75 SYK (0.45) SYKMAPK8JAK2ABL1RET
SCHEMBL1633410 0.74 SYK (0.52) SYKMAPK8JAK2ABL1RET
SCHEMBL735531 0.73 SYK (1.00) SYK

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