SCHEMBL17082452

SCHEMBL17082452

Cc1sc(-c2cncc(F)c2)nc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
PIK3CG P48736 1/20 0.36
PIM1 P11309 2/20 0.36
DCK P27707 2/20 0.36
DYRK1A Q13627 2/20 0.36
CYP19A1 P11511 1/20 0.35
ADRA2B P18089 1/20 0.35
CYP17A1 P05093 2/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL26847502 0.86 CYP11B1 (0.39) CYP11B1CYP11B2PIK3CGPIM1DCK
SCHEMBL18569269 0.83 CYP11B1 (0.38) CYP11B1CYP11B2PIK3CGPIM1DCK
SCHEMBL17082451 0.83 CYP11B1 (0.38) CYP11B1CYP11B2PIK3CGPIM1DCK
SCHEMBL17589770 0.83 CYP11B1 (0.38) CYP11B1CYP11B2PIK3CGPIM1DCK
SCHEMBL17641052 0.80 PIM1 (0.38) CYP11B1CYP11B2PIK3CGPIM1DCK
SCHEMBL290713 0.79 APP (0.38) CYP11B1CYP11B2PIK3CGPIM1DYRK1A
SCHEMBL18569311 0.79 APP (0.35) CYP11B1CYP11B2PIK3CGPIM1DYRK1A
Hydrochloric Acid SCHEMBL17629274 0.78 APP (0.37) CYP11B1CYP11B2PIK3CGPIM1DYRK1A
SCHEMBL17488376 0.77 PIM1 (0.40) CYP11B1CYP11B2PIK3CGPIM1DYRK1A
SCHEMBL12040234 0.75 CYP3A4 (0.53) CYP19A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2604268-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed