SCHEMBL20008163

SCHEMBL20008163

C/C=C\C(=C/NC=O)c1cc(NC)ccc1C#N

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL20008306 0.88
SCHEMBL20008531 0.82
SCHEMBL20008393 0.81 KCNH2 (0.31)
SCHEMBL20008173 0.72
SCHEMBL20008315 0.71
SCHEMBL20008186 0.69
SCHEMBL24269539 0.68 ALDH1A1 (0.47) IMPDH2ALDH1A1
SCHEMBL20008390 0.68
SCHEMBL20009423 0.66 MEN1 (0.36)
SCHEMBL14046649 0.64 ALDH1A1 (0.46) IMPDH2IMPDH1ALDH1A1EGFRERBB2

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed