SCHEMBL4756631

SCHEMBL4756631

CC(C)C[C@@H](C(N)=O)N(CC#N)c1cscc1-c1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RET P07949 19/20 0.40
FYN P06241 1/20 0.36

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
SCHEMBL4705295 0.91 CTSL (0.45) RET
SCHEMBL4699567 0.88 CTSK (0.44) RET
SCHEMBL4703612 0.78 CTSS (0.34)
SCHEMBL4701830 0.78 CTSK (0.37)
SCHEMBL4703746 0.77 OPRM1 (0.37)
SCHEMBL4704896 0.76 CTSK (0.34)
SCHEMBL4704688 0.76 CTSL (0.33)
SCHEMBL4703317 0.75 HRH3 (0.35)
SCHEMBL4699887 0.75 CTSS (0.34)
SCHEMBL4703269 0.74 ATP4A (0.36)

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
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed