SCHEMBL20008199

SCHEMBL20008199

C/N=C\C=C(\C)CC(C)C#N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL60530 0.71 TSHR (0.33) TSHR
SCHEMBL60531 0.71 TSHR (0.33) TSHR
SCHEMBL10961358 0.71 TSHR (0.43) TSHR
SCHEMBL10961361 0.71 TSHR (0.43) TSHR
SCHEMBL11852299 0.69 TSHR (0.32) TSHR
SCHEMBL11852301 0.69 TSHR (0.32) TSHR
SCHEMBL9735218 0.64
SCHEMBL10959663 0.64
SCHEMBL18368757 0.64
SCHEMBL13827092 0.63

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