Sugi Predict

Sugi Predict / Compounds / SCHEMBL27813616

SCHEMBL27813616

SCHEMBL27813616

Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCCc2cccc(CN)c2)c1=O

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.82
▸ RPS6KA5 O75582 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPKAPK2 P49137 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ MAPK11 Q15759 1/20 0.54

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
SCHEMBL27792386 0.94 MAPK14 (0.84) MAPK14
SCHEMBL435937 0.92 MAPK14 (0.82) MAPK14
SCHEMBL451047 0.92 MAPK14 (0.85) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL449661 0.91 MAPK14 (0.84) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL449753 0.91 MAPK14 (1.00) MAPK14
SCHEMBL436871 0.88 MAPK14 (0.83) MAPK14
SCHEMBL27792333 0.87 MAPK14 (0.78) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL448530 0.87 MAPK14 (0.86) MAPK14
SCHEMBL447744 0.86 MAPK14 (0.85) MAPK14
SCHEMBL451149 0.85 MAPK14 (0.90) MAPK14

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-101842361-B Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2013-06-05 — — CN disclosed
CN-101842361-A Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2010-09-22 — — CN disclosed