SCHEMBL20060134

SCHEMBL20060134

CN/C=C1\C(=N)CC(C)(C)/C(=C/N(C)C)C1=O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20060150 0.71 KDM4E (0.31)
SCHEMBL20059946 0.66 ALDH1A1 (0.38) GAAMAPT
SCHEMBL18871435 0.58 ALDH1A1 (0.43) GAAMAPTNPSR1
SCHEMBL13798510 0.58 ALDH1A1 (0.61) MAPTNPSR1
SCHEMBL10191421 0.57
SCHEMBL20060210 0.56
SCHEMBL20060146 0.55 TP53 (0.36)
SCHEMBL2575397 0.55 ALDH1A1 (0.47) GAAMAPTNPSR1
SCHEMBL24292646 0.54
SCHEMBL21218107 0.52 ALDH1A1 (0.55)

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-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed