SCHEMBL5524837

SCHEMBL5524837

COc1cc(N=C(N)NC2CC2c2ccccc2)ccc1-c1cnco1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.64
IMPDH1 P20839 1/20 0.46
AAK1 Q2M2I8 4/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL16239592 0.85 IMPDH2 (0.63) IMPDH2
SCHEMBL5614088 0.85 IMPDH2 (0.63) IMPDH2
SCHEMBL5524963 0.82 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL5524971 0.82 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL5531753 0.81 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL5531750 0.81 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL6170243 0.78 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL5524839 0.77 IMPDH2 (0.58) IMPDH2IMPDH1AAK1
SCHEMBL5524834 0.77 IMPDH2 (0.58) IMPDH2IMPDH1AAK1
SCHEMBL5524831 0.77 IMPDH2 (0.58) IMPDH2IMPDH1AAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 EP disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 WO disclosed