SCHEMBL5864575

SCHEMBL5864575

CSc1nc(N)nc(C(C)(C)Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.50
HSP90AA1 P07900 6/20 0.41
POLB P06746 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
SCHEMBL9350626 0.86 HSP90AB1 (0.52) HSP90AB1HSP90AA1POLB
SCHEMBL6307209 0.83 HSP90AB1 (0.54) HSP90AB1HSP90AA1POLB
SCHEMBL5864484 0.80 HSP90AB1 (0.50) HSP90AB1HSP90AA1POLB
SCHEMBL5864553 0.78 HSP90AB1 (0.52) HSP90AB1HSP90AA1POLB
SCHEMBL23523689 0.77 HSP90AB1 (0.47) HSP90AB1HSP90AA1POLB
SCHEMBL3631158 0.75 HSP90AB1 (0.71) HSP90AB1HSP90AA1POLB
SCHEMBL8071682 0.75 HSP90AB1 (0.71) HSP90AB1HSP90AA1POLB
SCHEMBL5864535 0.72 HSP90AA1 (0.33) HSP90AA1
SCHEMBL14020366 0.70 HSP90AB1 (0.58) HSP90AB1HSP90AA1
SCHEMBL9353525 0.69 HSP90AB1 (0.34) HSP90AB1HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7002011-B1 Process for the preparation of 2-amino-4-chloro-1,3,5-triazines AVENTIS CROPSCIENCE GMBH (DE) 2006-02-21 US disclosed
EP-1097146-A1 METHOD FOR PRODUCING 2-AMINO-4-CHLORO-1, 3, 5-TRIAZINES Aventis CropScience GmbH (DE) 2001-05-09 EP disclosed
WO-2000002868-A1 METHOD FOR PRODUCING 2-AMINO-4-CHLORO-1, 3, 5-TRIAZINES AVENTIS CROPSCIENCE GMBH (DE) 2000-01-20 WO disclosed