SCHEMBL5748532

SCHEMBL5748532

CSc1ncc(C(=O)O)c(N[C@@H]2CCOC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
SYK P43405 1/20 0.40
MERTK Q12866 2/20 0.39
TYRO3 Q06418 2/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
GAS6 Q14393 1/20 0.38
PPARG P37231 1/20 0.38
SELP P16109 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MAPK1 P28482 3/20 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
SCHEMBL23948514 0.93 PDE4B (0.48) PDE4BMAPK8MAPK9SYKMERTK
SCHEMBL15249748 0.86 SYK (0.51) PDE4BSYKMERTKPPARGMEN1
SCHEMBL5744856 0.85 ALDH1A1 (0.55) PDE4BMAPK8MAPK9SYKMEN1
SCHEMBL5744853 0.85 ALDH1A1 (0.55) PDE4BMAPK8MAPK9SYKMEN1
SCHEMBL23948144 0.84 IRAK4 (0.38) PDE4BSYKTYRO3MEN1KMT2A
SCHEMBL1226594 0.84 MEN1 (0.49) MAPK8SYKMERTKPPARGMEN1
SCHEMBL26161013 0.84 SYK (0.49) MAPK8SYKMERTKPPARGMEN1
SCHEMBL26931042 0.81 MERTK (0.57) MAPK8MAPK9SYKMERTKTYRO3
SCHEMBL26931049 0.81 MERTK (0.57) MAPK8MAPK9SYKMERTKTYRO3
SCHEMBL21591892 0.81 MAPK8 (0.43) MAPK8MAPK9MERTKTYRO3AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP claimed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO claimed