SCHEMBL13826111

SCHEMBL13826111

C=C(C)NC1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 12/20 0.54
▸ CRBN Q96SW2 2/20 0.49
▸ MGLL Q99685 2/20 0.47
▸ HSD11B1 P28845 2/20 0.46
▸ EPHX1 P07099 1/20 0.41

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
SCHEMBL16002937 0.86 SMYD3 (0.52) SMYD3CRBNMGLLHSD11B1
SCHEMBL29899587 0.86 SMYD3 (0.53) SMYD3CRBNMGLLHSD11B1
SCHEMBL29899647 0.82 CRBN (0.71) SMYD3CRBN
SCHEMBL23143574 0.82 CRBN (0.71) SMYD3CRBN
SCHEMBL23374113 0.81 SMYD3 (0.49) SMYD3CRBNMGLLHSD11B1
SCHEMBL23175631 0.80 SMYD3 (0.61) SMYD3CRBNMGLLHSD11B1
SCHEMBL23143550 0.78 SMYD3 (0.72) SMYD3CRBN
SCHEMBL29899597 0.78 SMYD3 (0.72) SMYD3CRBN
SCHEMBL29899605 0.77 SMYD3 (0.58) SMYD3CRBN
SCHEMBL23143511 0.77 MGLL (0.56) SMYD3CRBNMGLLHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 — — WO disclosed
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