SCHEMBL3392149

SCHEMBL3392149

COc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(OC)c1Br

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 19/20 0.68
HSP90AA1 P07900 18/20 0.68
HSP90B1 P14625 1/20 0.53
TRAP1 Q12931 1/20 0.53

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
SCHEMBL14438225 0.92 HSP90AB1 (0.69) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL13539605 0.85 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL1394943 0.82 HSP90AA1 (0.77) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3396045 0.81 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3394034 0.81 HSP90AB1 (0.76) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL14438219 0.80 HSP90AB1 (0.62) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL14568070 0.80 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL14568074 0.79 HSP90AB1 (0.84) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL14438224 0.79 HSP90AB1 (0.71) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL6029166 0.78 HSP90AB1 (0.70) HSP90AB1HSP90AA1HSP90B1TRAP1

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
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 WO disclosed
WO-2010048273-A2 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-29 WO disclosed