SCHEMBL23937754

SCHEMBL23937754

Cn1ccc2c(O)nc(S(N)(=O)=O)nc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
PRKD3 O94806 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NOTUM Q6P988 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
SCHEMBL20674248 0.84 HRH4 (0.35) HRH4PRKD3CLK2DYRK1APRKD2
SCHEMBL23937743 0.82 FTO (0.34) HRH4NOTUM
SCHEMBL20674247 0.75 HRH4 (0.34) HRH4PRKD3CLK2DYRK1APRKD2
SCHEMBL20674065 0.75 PI4KA (0.36) HRH4
SCHEMBL19341247 0.75 HRH4 (0.51) HRH4PRKD3CLK2DYRK1APRKD2
SCHEMBL20674251 0.73 PRKD3 (0.37) HRH4PRKD3CLK2DYRK1APRKD2
SCHEMBL18711826 0.73 HRH4 (0.36) HRH4PRKD3CLK2DYRK1APRKD2
SCHEMBL31514720 0.71 GAA (0.36) HRH4NOTUM
SCHEMBL28904493 0.71 GAA (0.36) HRH4NOTUM
SCHEMBL20674252 0.71 PIK3CB (0.34)

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed