SCHEMBL4658254

SCHEMBL4658254

O=C(Nc1cccc(-c2ccnc3c(C(=O)O)cnn23)c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.66
PIM1 P11309 2/20 0.66
BRAF P15056 13/20 0.65
GSK3A P49840 2/20 0.63
EPHA2 P29317 1/20 0.63
MAPK9 P45984 1/20 0.59
DYRK1A Q13627 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.59
LIMK1 P53667 1/20 0.58
MARK2 Q7KZI7 1/20 0.58
MAP2K1 Q02750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
AKT1 P31749 1/20 0.55
PIM3 Q86V86 1/20 0.55

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
SCHEMBL4656688 0.88 BRAF (0.84) BRAF
SCHEMBL4763004 0.88 BRAF (0.80) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL5808836 0.88 BRAF (0.57) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL5807557 0.87 CDKN1A (0.74) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL10733510 0.86 GSK3A (0.59) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL7361381 0.84 PIM1 (0.60) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL4657345 0.83 GSK3A (0.59) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL5819944 0.83 PIM1 (0.57) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL7363602 0.82 MAPK13 (0.57) MAPK13PIM1BRAFGSK3AEPHA2
SCHEMBL5823296 0.82 BRAF (0.57) MAPK13PIM1BRAFGSK3AEPHA2

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 disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed