SCHEMBL29185132

SCHEMBL29185132

CC(C)(C)OC(=O)Nc1cc(Cl)nc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 3/20 0.44
▸ MAPKAPK2 P49137 5/20 0.43
▸ S1PR2 O95136 3/20 0.42
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ TTK P33981 1/20 0.37
▸ LCK P06239 1/20 0.36

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
SCHEMBL9909941 0.86 EGLN2 (0.44) EGLN2MAPKAPK2GPR119CYP17A1TTK
SCHEMBL1368674 0.85 S1PR2 (0.58) MAPKAPK2S1PR2BCHEACHECYP17A1
SCHEMBL9909940 0.80 S1PR2 (0.47) MAPKAPK2S1PR2BCHEACHECYP17A1
SCHEMBL30938620 0.79 MAPKAPK2 (0.38) EGLN2MAPKAPK2CYP17A1TTK
SCHEMBL29529712 0.78 EGLN2 (0.47) EGLN2GPR119CYP17A1ATR
SCHEMBL2961095 0.78 EGLN2 (0.47) EGLN2GPR119CYP17A1ATR
SCHEMBL31226805 0.78 EGLN2 (0.42) EGLN2MAPKAPK2CYP17A1TTK
SCHEMBL18016765 0.77 S1PR2 (0.45) MAPKAPK2S1PR2BCHEACHECYP17A1
SCHEMBL23608433 0.76 SMARCA2 (0.44) MAPKAPK2S1PR2BCHEACHESYK
SCHEMBL29818315 0.76 SMARCA2 (0.44) MAPKAPK2S1PR2BCHEACHESYK

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
CN-117486790-A Preparation method of 4-amino-6-chloro-2-picolinic acid 南通药明康德医药科技有限公司 2024-02-02 — — CN claimed
CN-117486790-A Preparation method of 4-amino-6-chloro-2-picolinic acid 南通药明康德医药科技有限公司 2024-02-02 — — CN disclosed
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