SCHEMBL4497345

SCHEMBL4497345

O=C(O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.79
GSK3A P49840 2/20 0.52
EPHA2 P29317 1/20 0.52
MAPK13 O15264 2/20 0.52
PIM1 P11309 2/20 0.52
BRAF P15056 11/20 0.51
TLR8 Q9NR97 1/20 0.50
LIMK1 P53667 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
AKT1 P31749 1/20 0.48
PIM3 Q86V86 1/20 0.48
MAP2K1 Q02750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 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
SCHEMBL5799706 0.93 CDKN1A (0.76) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5813193 0.93 CDKN1A (0.76) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5808894 0.92 CDKN1A (0.79) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5613426 0.91 CDKN1A (0.77) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5811516 0.91 CDKN1A (0.77) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5797539 0.91 CDKN1A (0.72) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5807557 0.91 CDKN1A (0.74) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5812738 0.91 CDKN1A (0.74) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5946650 0.90 CDKN1A (0.75) CDKN1AGSK3AEPHA2MAPK13PIM1
SCHEMBL5819966 0.90 CDKN1A (0.75) CDKN1AGSK3AEPHA2MAPK13PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US claimed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO disclosed
US-4654347-A USEFUL AS ANXIOLYTIC AND ANTIEPILEPTIC AGENTS, SEDATIVE-HYPNOTIC AGENTS AND SKELETAL MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 US disclosed