SCHEMBL3396138

SCHEMBL3396138

COc1cc(Cn2cnc3c(OC)nc(N(C)C(C)=O)nc32)c(Br)c(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.66
HSP90AB1 P08238 14/20 0.66
PDE5A O76074 1/20 0.35
YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL3392746 0.90 HSP90AB1 (0.69) HSP90AA1HSP90AB1
SCHEMBL3395258 0.80 HSP90AB1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3396083 0.76 HSP90AA1 (0.71) HSP90AA1HSP90AB1PDE5A
SCHEMBL3394559 0.74 HSP90AB1 (0.71) HSP90AA1HSP90AB1
SCHEMBL3396299 0.73 HSP90AB1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3389641 0.72 HSP90AB1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3396045 0.72 HSP90AB1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3393045 0.72 HSP90AB1 (0.85) HSP90AA1HSP90AB1
SCHEMBL3395476 0.71 HSP90AB1 (0.80) HSP90AA1HSP90AB1
SCHEMBL3395139 0.68 HSP90AB1 (0.88) HSP90AA1HSP90AB1

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-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed