SCHEMBL5072097

SCHEMBL5072097

CN(C)c1ccc(-c2cc3[nH]ccnc-3n2)cc1CCCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KCNH2 Q12809 1/20 0.31
AURKB Q96GD4 1/20 0.31
VCP P55072 1/20 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
SCHEMBL1777955 0.71 CCNB2 (0.54)
SCHEMBL7402425 0.62 POLB (0.34)
SCHEMBL8676051 0.60 GAA (0.39)
SCHEMBL12650917 0.60 EGFR (0.30)
SCHEMBL30966776 0.60 RXRA (0.39)
SCHEMBL14733919 0.58 BCHE (0.42)
SCHEMBL28796038 0.57 BCHE (0.40)
SCHEMBL9315 0.57
SCHEMBL9912056 0.56 TAAR1 (0.37) KCNH2
SCHEMBL23144903 0.56 CXCR4 (0.32)

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
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed