SCHEMBL7960714

SCHEMBL7960714

CCN(CC)C(=O)Oc1c(-c2ccc(-c3ccc(C(N)=O)cc3)cc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 20/20 0.39

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
SCHEMBL10140040 0.91 CHEK2 (0.34) CHEK2
SCHEMBL10140006 0.91 CHEK2 (0.38) CHEK2
SCHEMBL10140004 0.88 SCD (0.36)
SCHEMBL16258986 0.88 TSPO (0.30)
SCHEMBL10172564 0.85 MAPT (0.37)
SCHEMBL10140005 0.83 PTGDR2 (0.33)
SCHEMBL7975823 0.83 HDAC3 (0.43)
SCHEMBL7978501 0.83 F10 (0.36)
SCHEMBL7976222 0.82 CHEK2 (0.44) CHEK2
SCHEMBL7973947 0.81 CHEK2 (0.36) CHEK2

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