SCHEMBL4657345

SCHEMBL4657345

Cc1ccc(C(=O)Nc2cccc(-c3ccnc4c(C(=O)O)cnn34)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.59
EPHA2 P29317 1/20 0.59
MAPK13 O15264 2/20 0.58
PIM1 P11309 2/20 0.58
BRAF P15056 12/20 0.54
CDKN1A P38936 1/20 0.53
TLR8 Q9NR97 1/20 0.52
LIMK1 P53667 1/20 0.52
MARK2 Q7KZI7 1/20 0.52
AKT1 P31749 1/20 0.52
PIM3 Q86V86 1/20 0.52
MAPK9 P45984 1/20 0.50
DYRK1A Q13627 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50

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
SCHEMBL4657297 0.89 BRAF (0.69) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL4658254 0.83 MAPK13 (0.66) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL5819844 0.82 CDKN1A (0.76) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL5622149 0.82 MEN1 (0.42) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL5623504 0.81 BRAF (0.69) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL4657114 0.81 BRAF (0.67) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL5808894 0.78 CDKN1A (0.79) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL5807757 0.78 CDKN1A (0.72) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL4656024 0.77 BRAF (0.81) GSK3AEPHA2MAPK13PIM1BRAF
SCHEMBL3176935 0.77 TLR8 (0.82) GSK3AEPHA2MAPK13PIM1BRAF

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