SCHEMBL16239592

SCHEMBL16239592

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

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.63

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
SCHEMBL5614088 1.00 IMPDH2 (0.63) IMPDH2
SCHEMBL5524837 0.85 IMPDH2 (0.64) IMPDH2
SCHEMBL1476207 0.84 IMPDH2 (0.65) IMPDH2
SCHEMBL1476206 0.84 IMPDH2 (0.65) IMPDH2
SCHEMBL5013949 0.84 IMPDH2 (0.61) IMPDH2
SCHEMBL5013948 0.84 IMPDH2 (0.61) IMPDH2
SCHEMBL1473510 0.83 IMPDH2 (0.67) IMPDH2
SCHEMBL1473512 0.83 IMPDH2 (0.67) IMPDH2
SCHEMBL5529880 0.83 IMPDH2 (0.84) IMPDH2
SCHEMBL1474349 0.82 IMPDH2 (0.66) IMPDH2

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-2803357-A2 Angiogenesis inhibitors THE JOHNS-HOPKINS UNIVERSITY (US) 2014-11-19 EP disclosed