SCHEMBL1069488

SCHEMBL1069488

CC(C)(C)C(NC(=O)O)C1CCCCN1c1nc(Nc2ccc3cn[nH]c3c2)ncc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.43
PDGFRB P09619 8/20 0.42
PDGFRA P16234 8/20 0.42
CDC7 O00311 2/20 0.41
WEE1 P30291 1/20 0.41
DAPK3 O43293 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
PAK4 O96013 2/20 0.38
PIM1 P11309 2/20 0.38
PRKACA P17612 2/20 0.38
CDK2 P24941 2/20 0.38
FLT3 P36888 2/20 0.38
CSNK1A1 P48729 2/20 0.38
CLK2 P49760 2/20 0.38
CDK9 P50750 2/20 0.38
JAK3 P52333 2/20 0.38
CDK5 Q00535 2/20 0.38
MAP4K2 Q12851 2/20 0.38
STK3 Q13188 2/20 0.38

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
SCHEMBL4382675 0.80 SYK (0.46) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL4382681 0.80 SYK (0.46) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL1070139 0.80 SYK (0.49) SYKCDK2JAK3JAK2TYK2
SCHEMBL1069491 0.80 SYK (0.44) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL12082662 0.78 JAK2 (0.43) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL1073636 0.76 SYK (0.47) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL1017367 0.71 SYK (0.51) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL1019485 0.69 ULK1 (0.52) SYKJAK3JAK2TYK2
SCHEMBL1069930 0.68 SYK (0.49) SYKPDGFRBPDGFRACDC7WEE1
SCHEMBL1018050 0.68 JAK3 (0.53) FLT3JAK3JAK2LCKKIT

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed