SCHEMBL18568993

SCHEMBL18568993

Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.38
DYRK1A Q13627 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
POLQ O75417 1/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CHRM4 P08173 1/20 0.33
PIM1 P11309 1/20 0.33
LMNA P02545 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PTGES O14684 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3C2A O00443 1/20 0.32
PIK3C2B O00750 1/20 0.32
DYRK3 O43781 1/20 0.32

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
SCHEMBL290519 0.88 DYRK1A (0.39) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL18569306 0.88 PIK3CG (0.37) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13047720 0.88 DYRK1A (0.43) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL17488375 0.87 GAA (0.37) DYRK1ACYP1A2CYP3A4CYP2C19PTGES
SCHEMBL13047738 0.86 LIPG (0.37) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL13047732 0.85 PIK3CG (0.35) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL13074916 0.85 PIK3CG (0.35) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL13074535 0.85 LIPG (0.36) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL18569322 0.83 CYP1A2 (0.38) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL25405384 0.82 PIK3CG (0.44) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19

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