SCHEMBL7969308

SCHEMBL7969308

CCN(CC)C(=O)Cc1c(-c2ccc(C)cc2)n[nH]c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.37
CHEK2 O96017 2/20 0.35
KDR P35968 1/20 0.35
SYK P43405 1/20 0.35
ITK Q08881 1/20 0.35
EGFR P00533 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
BRD4 O60885 2/20 0.34

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
SCHEMBL7975112 0.80 F9 (0.47) CHEK2BRD4
SCHEMBL20307729 0.76 F9 (0.40) CHEK2KDRITK
SCHEMBL7960271 0.76 BRD4 (0.36) TSPOCHEK2EGFRBRD4
SCHEMBL7972878 0.76 HPSE (0.38) CHEK2KDREGFRBRD4
SCHEMBL7975606 0.74 BRD4 (0.37) CHEK2SIRT2SIRT1BRD4
SCHEMBL10140040 0.74 CHEK2 (0.34) TSPOCHEK2EGFRSIRT2SIRT1
SCHEMBL7973068 0.73 CHEK2 (0.39) CHEK2SYKITK
SCHEMBL7960176 0.73 BRD4 (0.36) CHEK2SIRT2SIRT1BRD4
SCHEMBL7972241 0.72 F9 (0.41) CHEK2SIRT2SIRT1SIRT3BRD4
SCHEMBL7977818 0.71 F9 (0.48)

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed