SCHEMBL20689243

SCHEMBL20689243

C=CN(C(=O)C(=C)N)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FGFR4 P22455 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
SCHEMBL18760241 0.72
SCHEMBL2441885 0.72
SCHEMBL2947618 0.70 TSHR (0.31) TSHR
SCHEMBL11706686 0.70
SCHEMBL27806828 0.70 TSHR (0.36) ALDH1A1TSHR
SCHEMBL23233853 0.70
SCHEMBL28007795 0.68
SCHEMBL25068519 0.68
SCHEMBL21084308 0.67
SCHEMBL21142355 0.67 POLB (0.30)

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
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed