SCHEMBL4048686

SCHEMBL4048686

CC(C)(C)C(=O)Oc1cccc(-c2c(-c3ccncc3)nn3c4c(cnc23)CC2(CC4)OCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.39
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK1 O14757 1/20 0.31
ABL1 P00519 1/20 0.31
PRKCB P05771 1/20 0.31
FYN P06241 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31
MET P08581 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
PDGFRA P16234 1/20 0.31
PRKCA P17252 1/20 0.31
CDK2 P24941 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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) BRAFALDH1A1NPC1HTTRAB9A
SCHEMBL4052889 0.83 BRAF (0.47) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL4052299 0.79 BRAF (0.40) BRAFALDH1A1SRCMAPKAPK2MAPK14
SCHEMBL4045295 0.75 BRAF (0.46) BRAFALDH1A1MAPK14
SCHEMBL4047106 0.74 BRAF (0.51) BRAFMAPK14
SCHEMBL4047970 0.73
SCHEMBL4051834 0.66 BRAF (0.47) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL4047602 0.66 DYRK1A (0.39) ALDH1A1FYNHPGDMAPK1
SCHEMBL4046191 0.65 NPC1 (0.53) BRAFALDH1A1NPC1HTTRAB9A
SCHEMBL1017360 0.59 BRAF (0.63) BRAFMAPK14

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