SCHEMBL18569239

SCHEMBL18569239

CNc1sc(-c2cncc(F)c2)nc1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.36
PIK3CG P48736 1/20 0.36
DYRK1A Q13627 2/20 0.35
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
PIM1 P11309 2/20 0.32
TLR7 Q9NYK1 4/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP17A1 P05093 2/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL290713 0.85 APP (0.38) APPPIK3CGDYRK1ACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL17629274 0.84 APP (0.37) APPPIK3CGDYRK1ACYP11B1CYP11B2
SCHEMBL18569269 0.80 CYP11B1 (0.38) PIK3CGDYRK1ACYP11B1CYP11B2PIM1
SCHEMBL289594 0.79 ALOX15 (0.46) APPPIK3CGDYRK1ACYP11B1CYP11B2
SCHEMBL13048201 0.77 DYRK1A (0.40) PIK3CGDYRK1APIM1CYP17A1
SCHEMBL18569019 0.76 PIK3CG (0.35) PIK3CGDYRK1A
SCHEMBL13048209 0.75 PIK3CG (0.37) PIK3CGDYRK1APIM1HDAC6
SCHEMBL13048214 0.74 DYRK1A (0.38) PIK3CGDYRK1APIM1HDAC6
SCHEMBL17641052 0.74 PIM1 (0.38) APPPIK3CGDYRK1ACYP11B1CYP11B2
SCHEMBL25405384 0.73 PIK3CG (0.44) PIK3CGDYRK1APIM1CYP3A4CYP1A2

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-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed