SCHEMBL3943534

SCHEMBL3943534

COc1cccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3cncc(C#N)c3)NC(=O)N2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3944771 0.93 RXFP1 (0.46) RXFP1
SCHEMBL3947294 0.92 PKM (0.46) RXFP1PKMMEN1KMT2A
SCHEMBL3942701 0.92 PKM (0.44) RXFP1PKM
SCHEMBL3943829 0.91 RXFP1 (0.41) RXFP1PKM
SCHEMBL3951605 0.91 RXFP1 (0.46) RXFP1MEN1KMT2A
SCHEMBL3944379 0.91 MMP1 (0.41) MEN1KMT2A
SCHEMBL3946809 0.90 MEN1 (0.45) PKMMEN1KMT2A
SCHEMBL3942078 0.90 PKM (0.46) RXFP1PKM
SCHEMBL3942352 0.89 PKM (0.47) RXFP1PKMMEN1KMT2A
SCHEMBL3949157 0.89 RXFP1 (0.53) RXFP1PKMMEN1KMT2A

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed