SCHEMBL21048910

SCHEMBL21048910

CN(c1ncc(F)cc1C#N)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.40
SLC22A12 Q96S37 8/20 0.36
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL1626886 0.83 PTK2 (0.37) PTK2LRRK2
SCHEMBL17258736 0.82 PTK2 (0.36) PTK2SLC22A12LRRK2
SCHEMBL21048874 0.81 KDM4E (0.36) PTK2SLC22A12
SCHEMBL1230919 0.72 PTK2 (0.50) PTK2
Hydrochloric Acid SCHEMBL21048838 0.72 JAK2 (0.37) PTK2
SCHEMBL1628384 0.71 PTK2 (0.39) PTK2LRRK2
SCHEMBL21048809 0.69 GAA (0.33) SLC22A12LRRK2
SCHEMBL1625404 0.68 PTK2 (0.38) PTK2LRRK2
SCHEMBL13082590 0.68 CHRNB2 (0.40) SLC22A12
SCHEMBL1626116 0.66 PTK2 (0.37) PTK2

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed