SCHEMBL18569045

SCHEMBL18569045

CN(C)c1cnc(-c2cncc(F)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
PIK3CG P48736 1/20 0.33
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 3/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
POLQ O75417 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
ABL1 P00519 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL13074524 0.83 HCAR2 (0.37) PIM1PIK3CGCYP11B2CYP11B1ALDH1A1
SCHEMBL13047439 0.80 PIK3CG (0.34) PIK3CGCYP11B2CYP11B1POLQHSD17B1
SCHEMBL13047437 0.80 ABL1 (0.35) PIK3CGCYP11B2CYP11B1POLQHSD17B1
SCHEMBL290377 0.80 CYP11B2 (0.35) PIM1PIK3CGCYP11B2CYP11B1POLQ
SCHEMBL17488376 0.78 PIM1 (0.40) PIM1PIK3CGCYP11B2CYP11B1POLQ
SCHEMBL13048000 0.77 PAX8 (0.37) PIK3CGCYP11B2ALDH1A1POLQHSD17B1
SCHEMBL17589754 0.77 CYP11B2 (0.33) PIM1PIK3CGCYP11B2CYP11B1POLQ
SCHEMBL290098 0.77 CDC7 (0.40) PIK3CGPOLQTLR7
SCHEMBL290654 0.76 ABL1 (0.35) PIK3CGCYP11B2POLQHSD17B1HSD17B2
SCHEMBL17589854 0.75 HSD17B1 (0.32) PIK3CGPOLQHSD17B1HSD17B2

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