SCHEMBL4047044

SCHEMBL4047044

CC(C)CC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.45
CTSL P07711 16/20 0.45
CTSS P25774 12/20 0.45
CTSB P07858 4/20 0.45
CTSV O60911 2/20 0.42
GRN P28799 1/20 0.38
SORT1 Q99523 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
SCHEMBL4045549 0.92 CTSL (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043689 0.91 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4053835 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047618 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039158 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBGRN
SCHEMBL4046622 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBGRN
SCHEMBL4046952 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBGRN
SCHEMBL4045238 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBGRN
SCHEMBL4045678 0.85 CTSK (0.49) CTSKCTSLCTSSCTSBGRN
SCHEMBL4042621 0.85 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1189905-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-29 EP claimed
EP-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP claimed