SCHEMBL14219068

SCHEMBL14219068

CC(C)(C)OC(=O)N1CCCC(c2cc(Nc3cccc(S(C)(=O)=O)c3)n3ncc(-c4cn[nH]c4)c3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.43
▸ JAK3 P52333 5/20 0.43
▸ PTK2 Q05397 5/20 0.43
▸ GPR119 Q8TDV5 6/20 0.41
▸ CHEK1 O14757 3/20 0.41
▸ ROCK2 O75116 3/20 0.41
▸ JAK1 P23458 2/20 0.39
▸ PIK3CA P42336 1/20 0.38

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
SCHEMBL14219070 0.93 CHEK1 (0.40) JAK2JAK3PTK2GPR119CHEK1
SCHEMBL14219069 0.93 CHEK1 (0.44) JAK2JAK3PTK2GPR119CHEK1
SCHEMBL11931563 0.90 CHEK1 (0.51) JAK2JAK3PTK2GPR119CHEK1
SCHEMBL14218631 0.88 CHEK1 (0.43) GPR119CHEK1ROCK2JAK1PIK3CA
SCHEMBL14218632 0.88 CHEK1 (0.45) GPR119CHEK1ROCK2JAK1PIK3CA
SCHEMBL14219071 0.84 CHEK1 (0.41) GPR119CHEK1ROCK2JAK1PIK3CA
SCHEMBL14232555 0.84 JAK1 (0.50) GPR119CHEK1ROCK2JAK1PIK3CA
SCHEMBL14232557 0.84 CHEK1 (0.49) GPR119CHEK1ROCK2JAK1PIK3CA
SCHEMBL14219067 0.83 CHEK1 (0.55) GPR119CHEK1ROCK2JAK1PIK3CA
SCHEMBL14232556 0.83 CHEK1 (0.47) GPR119CHEK1ROCK2JAK1PIK3CA

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
WO-2008045268-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 — — WO disclosed
Send feedback