SCHEMBL4048276

SCHEMBL4048276

COc1cccc(-c2c(-c3ccncc3)nn3cc4c(nc23)CCC2(CCNCC2)C4)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.42
KDR P35968 1/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4049202 0.86 BRAF (0.39) BRAFKDRMAPK14MAPK13RAF1
SCHEMBL4047106 0.81 BRAF (0.51) BRAFKDRMAPK14MAPK13RAF1
SCHEMBL4045295 0.68 BRAF (0.46) BRAFKDRMAPK14KDM4EALDH1A1
SCHEMBL4048461 0.66 BRAF (0.49) BRAFKDRMAPK14MAPK13RAF1
SCHEMBL1017360 0.62 BRAF (0.63) BRAFKDRMAPK14MAPK13RAF1
SCHEMBL30622759 0.61 MAPK14 (0.45) BRAFMAPK14MAPK13RAF1MAPK12
SCHEMBL26645052 0.61 MAPK14 (0.45) BRAFMAPK14MAPK13RAF1MAPK12
SCHEMBL1017008 0.61 BRAF (0.63) BRAFMAPK14MAPT
SCHEMBL4054055 0.60 BRAF (0.49) BRAFKDRMAPK14MAPK13RAF1
Hydrochloric Acid SCHEMBL30622821 0.60 MAPK14 (0.44) BRAFMAPK14MAPK13RAF1MAPK12

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