SCHEMBL4052889

SCHEMBL4052889

Oc1cccc(-c2c(-c3ccncc3)nn3c4c(cnc23)CC2(CC4)OCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.47
FYN P06241 3/20 0.42
MAPK14 Q16539 2/20 0.42
CHEK1 O14757 1/20 0.42
ABL1 P00519 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
CDK2 P24941 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
AURKB Q96GD4 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42

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
SCHEMBL4048461 0.87 BRAF (0.49) BRAFMAPK14MAPK13RAF1MAPK12
SCHEMBL4054162 0.85 BRAF (0.49) BRAFFYNMAPK14CHEK1ABL1
SCHEMBL4051834 0.81 BRAF (0.47) BRAFFYNMAPK14CHEK1ABL1
SCHEMBL4047970 0.80
SCHEMBL4047106 0.72 BRAF (0.51) BRAFMAPK14MAPK13RAF1MAPK12
SCHEMBL4047602 0.72 DYRK1A (0.39) FYN
SCHEMBL4045295 0.71 BRAF (0.46) BRAFMAPK14
SCHEMBL1015442 0.66 BRAF (0.61) BRAFFYNMAPK14CHEK1ABL1
SCHEMBL1016870 0.66 BRAF (0.78) BRAFFYNMAPK14CHEK1ABL1
SCHEMBL3656450 0.65 BRAF (0.51) BRAFFYNMAPK14CHEK1ABL1

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
WO-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO claimed
WO-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed
WO-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed