SCHEMBL5797489

SCHEMBL5797489

N#CNC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.72
BRAF P15056 14/20 0.49
MAPK13 O15264 1/20 0.46
PIM1 P11309 1/20 0.46
EPHA2 P29317 1/20 0.44
GSK3A P49840 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL5813193 0.89 CDKN1A (0.76) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5799706 0.88 CDKN1A (0.76) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL4497345 0.87 CDKN1A (0.79) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5808894 0.87 CDKN1A (0.79) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5946554 0.87 CDKN1A (0.71) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5613426 0.87 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5811516 0.87 CDKN1A (0.77) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL6071508 0.86 CDKN1A (0.72) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5800548 0.86 CDKN1A (0.80) CDKN1ABRAFMAPK13PIM1EPHA2
SCHEMBL5821478 0.86 CDKN1A (0.72) CDKN1ABRAFMAPK13PIM1EPHA2

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-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed