SCHEMBL1069491

SCHEMBL1069491

CC(C)(C)N(CC1CCCCN1c1nc(Nc2ccc3cn[nH]c3c2)ncc1F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.44
CDC7 O00311 2/20 0.42
WEE1 P30291 1/20 0.42
PDGFRB P09619 6/20 0.41
PDGFRA P16234 6/20 0.41
JAK3 P52333 4/20 0.39
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
PRKX P51817 1/20 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 0.84 SYK (0.46) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL12082662 0.83 JAK2 (0.43) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL4382681 0.83 SYK (0.46) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL1073636 0.82 SYK (0.47) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL1070140 0.81 ALK (0.49) SYKCDK2
SCHEMBL1069488 0.80 SYK (0.43) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL1017367 0.71 SYK (0.51) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL1019488 0.70 ULK1 (0.51) SYKJAK3CDK7JAK2JAK1
SCHEMBL1069930 0.69 SYK (0.49) SYKCDC7WEE1PDGFRBPDGFRA
SCHEMBL1018051 0.68 JAK3 (0.52) JAK3FLT3JAK2JAK1TYK2

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