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Sugi Predict / Compounds / SCHEMBL5115049

SCHEMBL5115049

SCHEMBL5115049

CNc1nccc(Oc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(CN5CCN(C)CC5)c4OC)n(C)c23)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 18/20 0.45
▸ MAPK14 Q16539 9/20 0.43
▸ SRC P12931 8/20 0.43
▸ SYK P43405 8/20 0.43
▸ MAP3K7 O43318 1/20 0.40
▸ MAP4K2 Q12851 1/20 0.40
▸ MAP3K20 Q9NYL2 1/20 0.40

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
SCHEMBL14276158 0.93 GSK3A (0.49) GSK3AMAPK14SRCSYK
SCHEMBL14276166 0.88 MAPK14 (0.42) GSK3AMAPK14SRCSYK
SCHEMBL14276160 0.88 GSK3A (0.44) GSK3AMAPK14SRCSYK
SCHEMBL5685529 0.87 GSK3A (0.40) GSK3AMAPK14SRCSYKMAP3K7
SCHEMBL14276231 0.86 GSK3A (0.46) GSK3AMAPK14SRCSYK
SCHEMBL5681284 0.86 GSK3A (0.46) GSK3AMAPK14SRCSYK
SCHEMBL14276161 0.85 GSK3A (0.49) GSK3AMAPK14SRCSYK
SCHEMBL14276151 0.85 GSK3A (0.50) GSK3AMAPK14SRCSYK
SCHEMBL14276232 0.84 GSK3A (0.47) GSK3AMAPK14SRCSYK
SCHEMBL14276155 0.84 GSK3A (0.52) GSK3AMAPK14SRCSYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed