SCHEMBL11597828

SCHEMBL11597828

CCC(O)Cn1cnc2c(Cl)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.60
ADORA2A P29274 3/20 0.52
AHCY P23526 2/20 0.52
ADORA1 P30542 2/20 0.50
FGFR1 P11362 8/20 0.49
FGFR4 P22455 8/20 0.49
HDAC6 Q9UBN7 2/20 0.48
P2RX7 Q99572 2/20 0.48
ALDH1A1 P00352 1/20 0.44
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL11597681 0.89 FDPS (0.61) FDPSADORA2AAHCYADORA1FGFR1
SCHEMBL11597739 0.87 FDPS (0.58) FDPSADORA2AAHCYADORA1FGFR1
SCHEMBL11252936 0.85 ADORA2A (0.68) FDPSADORA2AAHCYADORA1FGFR1
SCHEMBL4570528 0.84 ADORA2A (0.54) FDPSADORA2AAHCYADORA1ALDH1A1
SCHEMBL11596728 0.83 FDPS (0.61) FDPSADORA2AAHCYADORA1FGFR1
SCHEMBL14963614 0.82 ADORA2A (0.76) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL13394189 0.82 ADORA2A (0.76) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL11597238 0.81 FDPS (0.56) FDPSADORA2AAHCYADORA1FGFR1
SCHEMBL7832523 0.79 ADORA2A (0.64) FDPSADORA2AADORA1FGFR1FGFR4
SCHEMBL11597693 0.77 FDPS (0.58) FDPSADORA2AAHCYADORA1FGFR1

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
US-4100286-A 2-(Substituted heterocyclic amine)benzoic acids SCIENCE UNION ET CIE (FR) 1978-07-11 US disclosed