Sugi Predict

Sugi Predict / Compounds / SCHEMBL5707216

SCHEMBL5707216

SCHEMBL5707216

CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNC(=O)C(N)CC[S+](C)[O-])c3CC)c2cc1OCC.CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNC(=O)CN)c3CC)c2cc1OCC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 15/20 0.45
▸ KCNH2 Q12809 5/20 0.42
▸ SCN5A Q14524 2/20 0.42
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39

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
SCHEMBL4918834 0.96 CSF1R (0.47) CSF1RKCNH2SCN5AEGFRERBB2
Trifluoroacetic Acid SCHEMBL4910369 0.91 CSF1R (0.43) CSF1RKCNH2SCN5A
SCHEMBL4918446 0.89 CSF1R (0.55) CSF1RKCNH2SCN5A
SCHEMBL4905665 0.88 CSF1R (0.49) CSF1RKCNH2SCN5AEGFRERBB2
SCHEMBL5707142 0.87 CSF1R (0.49) CSF1RKCNH2SCN5AEGFRERBB2
SCHEMBL4910549 0.87 CSF1R (0.50) CSF1RKCNH2SCN5AEGFRERBB2
SCHEMBL4914425 0.87 CSF1R (0.50) CSF1RKCNH2SCN5AEGFRERBB2
SCHEMBL4909651 0.87 CSF1R (0.48) CSF1RKCNH2SCN5AEGFRERBB2
SCHEMBL4915347 0.87 CSF1R (0.48) CSF1RKCNH2SCN5AEGFRERBB2
Trifluoroacetic Acid SCHEMBL4904507 0.85 CSF1R (0.39) CSF1RKCNH2SCN5A

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
EP-1718615-A1 NOVEL QUINOLINE-CARBAXAMIDES AS JACK3 KINASE MODULATORS AstraZeneca AB (SE) 2006-11-08 — — EP claimed
WO-2005075429-A1 NOVEL QUINOLINE-CARBAXAMIDES AS JACK3 KINASE MODULATORS ASTRAZENECA AB (SE) 2005-08-18 — — WO claimed
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