SCHEMBL5820180

SCHEMBL5820180

O=C(O)Nc1cccc(-c2ccnc3c(Br)cnn23)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.53
MAPK13 O15264 2/20 0.53
PIM1 P11309 2/20 0.53
EPHA2 P29317 1/20 0.53
BRAF P15056 11/20 0.50
TLR8 Q9NR97 1/20 0.50
CDKN1A P38936 1/20 0.49
LIMK1 P53667 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
AKT1 P31749 1/20 0.47
PIM3 Q86V86 1/20 0.47
MAP2K1 Q02750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL5799423 0.84 TP53 (0.48) GSK3AMAPK13PIM1EPHA2BRAF
SCHEMBL4762128 0.84 BRAF (0.56) MAPK13PIM1BRAFKDR
SCHEMBL4656907 0.83 BRAF (0.69) BRAF
SCHEMBL4658179 0.82 BRAF (0.62) BRAF
SCHEMBL10733510 0.82 GSK3A (0.59) GSK3AMAPK13PIM1EPHA2BRAF
SCHEMBL5808332 0.82 BRAF (0.49) MAPK13PIM1BRAFKDR
SCHEMBL4655778 0.81 BRAF (0.76) BRAF
SCHEMBL4658290 0.80 BRAF (0.71) BRAFKDR
SCHEMBL4656125 0.80 BRAF (0.74) BRAF
SCHEMBL5622067 0.80 BRAF (0.71) BRAFKDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO claimed