SCHEMBL5376016

SCHEMBL5376016

CCn1ncc2c(-c3cc(Cl)c(N)c(Cl)c3)c(CO)c(C3CC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAT2A P31153 9/20 0.35
PTGER3 P43115 1/20 0.33
PDE5A O76074 1/20 0.32
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31

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
SCHEMBL27662707 0.84 MAT2A (0.38) ADORA3ADORA2AADORA1MAT2APTGER3
SCHEMBL27662635 0.84 PRKAA2 (0.36) PRKAA2ADORA3ADORA2AADORA1MAT2A
SCHEMBL4778910 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA1MAT2APTGER3
SCHEMBL4776296 0.82 RXRA (0.35) ADORA3ADORA2AADORA1MAT2APTGER3
SCHEMBL4776302 0.82 RXRA (0.35) ADORA3ADORA2AADORA1MAT2APTGER3
SCHEMBL4777635 0.82 MAT2A (0.41) MAT2APTGER3
SCHEMBL27662703 0.80 PRKAA2 (0.36) PRKAA2MAT2APDE5APIK3CAMTOR
SCHEMBL27682217 0.80 PRKAA2 (0.36) PRKAA2MAT2APDE5APIK3CAMTOR
SCHEMBL27682210 0.79 ACVR2A (0.35) PRKAA2ADORA3ADORA2AADORA1MAT2A
SCHEMBL27662583 0.78 MAT2A (0.35) PRKAA2ADORA3ADORA2AADORA1MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed