Sugi Predict

Sugi Predict / Compounds / Pyridine

Pyridine

Pyridine

SCHEMBL28879279

CC(C)c1cc(-c2nnc(O)n2-c2ccc(CN3CCNCC3)cc2)c(O)cc1O.c1ccncc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 18/20 0.42
▸ HSP90AB1 P08238 11/20 0.42
▸ HSP90B1 P14625 2/20 0.37
▸ TRAP1 Q12931 2/20 0.37
▸ PDK1 Q15118 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL30368851 0.94 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL15522473 0.94 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Hydrochloric Acid SCHEMBL29529693 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Piperazine SCHEMBL28333614 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Hydrochloric Acid SCHEMBL16569190 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Pyridine SCHEMBL28333613 0.91 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL24321397 0.86 BRD4 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL18347833 0.86 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL23135232 0.84 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL16981554 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1

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
CN-104470941-B targeted therapeutics 马德里加尔制药公司 2019-09-27 — — CN disclosed