SCHEMBL3702213

SCHEMBL3702213

CCc1cn(-c2ccc(C(N)=O)c(NC3CCC(C(NC(=O)OC(C)(C)C)C(=O)O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.74

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
SCHEMBL3702229 1.00 HSP90AA1 (0.74) HSP90AA1
SCHEMBL3702217 0.87 HSP90AA1 (0.76) HSP90AA1
SCHEMBL2693731 0.86 HSP90AA1 (0.79) HSP90AA1
SCHEMBL2693740 0.86 HSP90AA1 (0.79) HSP90AA1
SCHEMBL2694184 0.86 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2692376 0.86 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2694187 0.86 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2692374 0.86 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2692493 0.84 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2691992 0.81 HSP90AA1 (1.00) HSP90AA1

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-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed