SCHEMBL17871069

SCHEMBL17871069

CC(=O)Nc1cc(C#Cc2nccc(CCF)c2NC(=O)C(F)(F)F)ccn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 8/20 0.34
CYP3A4 P08684 4/20 0.34
PIK3C3 Q8NEB9 4/20 0.33
MAPKAPK2 P49137 1/20 0.32
MAPK14 Q16539 2/20 0.32
ACACB O00763 1/20 0.32
ACVRL1 P37023 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL17871067 0.92 L3MBTL1 (0.34) L3MBTL1AAK1CYP3A4PIK3C3MAPKAPK2
SCHEMBL17840827 0.90 L3MBTL1 (0.36) L3MBTL1AAK1CYP3A4PIK3C3MAPKAPK2
SCHEMBL17840898 0.84 L3MBTL1 (0.38) L3MBTL1AAK1CYP3A4PIK3C3MAPKAPK2
SCHEMBL17840582 0.83 TYK2 (0.41) L3MBTL1PIK3C3MAPKAPK2MAPK14ACVRL1
SCHEMBL30365666 0.83 TYK2 (0.41) L3MBTL1PIK3C3MAPKAPK2MAPK14ACVRL1
SCHEMBL17840563 0.82 CYP1A2 (0.40) L3MBTL1AAK1CYP3A4PIK3C3ACACB
SCHEMBL17871068 0.82 PIK3C3 (0.38) L3MBTL1AAK1CYP3A4PIK3C3JAK2
SCHEMBL17840751 0.82 AAK1 (0.40) L3MBTL1AAK1CYP3A4PIK3C3MAPKAPK2
SCHEMBL17840721 0.81 AAK1 (0.37) L3MBTL1AAK1CYP3A4MAPKAPK2MAPK14
SCHEMBL17840655 0.81 AAK1 (0.38) L3MBTL1AAK1CYP3A4PIK3C3MAPKAPK2

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-3237415-A1 TGF RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2017-11-01 EP disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed