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Sugi Predict / Compounds / SCHEMBL5593313

SCHEMBL5593313

SCHEMBL5593313

Cc1ccc(NC(=O)c2cc(CN3CCOCC3)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 2/20 0.52
▸ RAF1 P04049 14/20 0.48
▸ BRAF P15056 14/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL4412491 0.94 TEK (0.57) TEKRAF1BRAFMEN1KMT2A
SCHEMBL14473151 0.93 TEK (0.52) TEKRAF1BRAFMEN1KMT2A
SCHEMBL4410250 0.93 TEK (0.51) TEKRAF1BRAFMEN1KMT2A
SCHEMBL4565686 0.87 RAF1 (0.51) TEKRAF1BRAF
SCHEMBL4413471 0.84 RAF1 (0.58) TEKRAF1BRAF
SCHEMBL4420790 0.84 MEN1 (0.55) TEKRAF1BRAFMEN1KMT2A
SCHEMBL5622327 0.84 RAF1 (0.48) TEKRAF1BRAF
SCHEMBL5593016 0.83 TEK (0.53) TEKBRAFMEN1KMT2ANAMPT
SCHEMBL5603184 0.83 ABL1 (0.40) TEKBRAFMEN1KMT2AABL1
SCHEMBL4551597 0.82 MAPK14 (0.60) RAF1BRAFNAMPT

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed