SCHEMBL1653282

SCHEMBL1653282

Nc1ncnc2cc(CN3CCN(C(=O)CNC(=O)c4ccc(Cl)s4)CC3=O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.51
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ALDH1A1 P00352 1/20 0.37
LIMK1 P53667 1/20 0.35
DPP4 P27487 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL1653423 0.92 F10 (0.49) F10
SCHEMBL1653409 0.86 F10 (0.49) F10
SCHEMBL28748292 0.84 F10 (0.49) F10DPP4
SCHEMBL1651375 0.84 F10 (0.54) F10DPP4
SCHEMBL1653208 0.83 F10 (0.53) F10ALDH1A1
SCHEMBL1652281 0.83 F10 (0.53) F10DPP4
SCHEMBL1653364 0.83 F10 (0.53) F10DPP4
SCHEMBL1652171 0.82 F10 (0.52) F10
SCHEMBL1653352 0.82 F10 (0.53) F10DPP4
SCHEMBL7375851 0.81 F10 (0.48) F10DPP4

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
JP-4676613-B2 2011-04-27 JP claimed