SCHEMBL4646692

SCHEMBL4646692

CC1=C(C(=O)OCCC(C)(C)C)C(c2cc(C)c3[nH]cnc3c2)NC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ADORA2B P29275 3/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KIF11 P52732 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6404875 0.82 ADORA2B (0.46) GAAADORA2BPOLBHSD17B10TSHR
SCHEMBL4646681 0.82 GAA (0.51) GAAADORA2BPOLBHSD17B10KIF11
SCHEMBL4648748 0.81 USP2 (0.43) GAAPOLBHSD17B10KIF11TSHR
SCHEMBL4646772 0.73 TSHR (0.59) GAAADORA2BTSHRRAB9A
SCHEMBL4649112 0.72 GAA (0.78) GAAPOLBHSD17B10TSHRRAB9A
SCHEMBL4648514 0.70 GAA (0.58) GAAHSD17B10TSHRRAB9A
SCHEMBL6405985 0.67 GAA (0.49) GAAADORA2BHSD17B10TSHRRAB9A
SCHEMBL3399033 0.66 KIF11 (0.79) GAAHSD17B10KIF11TSHR
SCHEMBL24624782 0.65 MAPK1 (0.68) GAAADORA2BPOLBHSD17B10KIF11
SCHEMBL4648207 0.64 USP2 (0.46) GAAHSD17B10KIF11

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-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP disclosed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP disclosed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO disclosed