SCHEMBL4655883

SCHEMBL4655883

COc1ccc(-c2ccnc3c(C(=O)O)cnn23)cc1NC(=O)c1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.61
PIM1 P11309 4/20 0.56
GSK3A P49840 3/20 0.56
MAPK13 O15264 2/20 0.56
AKT1 P31749 2/20 0.56
PIM3 Q86V86 2/20 0.56
DAPK3 O43293 1/20 0.56
MAPK9 P45984 1/20 0.56
NEK2 P51955 1/20 0.56
PLK3 Q9H4B4 1/20 0.56
LIMK1 P53667 1/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
EPHA2 P29317 1/20 0.45
CFTR P13569 1/20 0.44

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
SCHEMBL4656887 0.92 BRAF (0.75) BRAFPIM1GSK3AMAPK13AKT1
SCHEMBL5624102 0.83 BRAF (0.71) BRAFPIM1GSK3AMAPK13AKT1
SCHEMBL4656339 0.81 BRAF (0.76) BRAFKDM4EALDH1A1
SCHEMBL4657229 0.79 BRAF (0.77) BRAFPIM1GSK3AMAPK13AKT1
SCHEMBL4657246 0.77 BRAF (0.80) BRAFGSK3AKDM4EEPHA2
SCHEMBL4761960 0.76 BRAF (1.00) BRAF
SCHEMBL4656916 0.76 BRAF (1.00) BRAFPIM1MAPK13
SCHEMBL5795871 0.76 PIM1 (0.61) BRAFPIM1GSK3AMAPK13AKT1
SCHEMBL3161203 0.75 KDM4E (0.72) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL4656024 0.75 BRAF (0.81) BRAFPIM1GSK3AMAPK13KDM4E

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-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP claimed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO claimed