SCHEMBL4043293

SCHEMBL4043293

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)CC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.51
CTSS P25774 5/20 0.38
CTSL P07711 6/20 0.37
CTSB P07858 2/20 0.37
MAPK1 P28482 1/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4042518 0.93 CTSK (0.50) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4047665 0.92 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4041942 0.92 CTSK (0.49) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4048373 0.91 CTSK (0.52) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4048116 0.91 CTSK (0.48) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4046066 0.91 CTSK (0.50) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4048070 0.90 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL4053213 0.89 CTSK (0.49) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4046731 0.89 CTSK (0.56) CTSKCTSSCTSBDPP4
SCHEMBL4049584 0.89 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1

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-2009103719-A1 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND USE AND PRODUCTION THEREOF FREIE UNIVERSITÄT BERLIN (DE) 2009-08-27 WO disclosed