SCHEMBL25935702

SCHEMBL25935702

CC(C)(C)C1Nc2cncnc2N1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL29977891 0.76 HSP90AA1 (0.40) HSP90AA1
SCHEMBL3955042 0.76 HSP90AA1 (0.40) HSP90AA1
Hydrochloric Acid SCHEMBL28097181 0.69 HSP90AA1 (0.38) HSP90AA1
SCHEMBL29193432 0.67 HSP90AA1 (0.34) HSP90AA1
SCHEMBL27791869 0.67 HSP90AA1 (0.37) HSP90AA1
SCHEMBL9642403 0.66 HSP90AA1 (0.33) HSP90AA1
SCHEMBL9107035 0.64 GSK3B (0.57) HSP90AA1
SCHEMBL9110204 0.64 GSK3B (0.45) HSP90AA1
SCHEMBL9110195 0.64 GSK3B (0.45) HSP90AA1
SCHEMBL9107039 0.64 GSK3B (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed