SCHEMBL949405

SCHEMBL949405

Nc1nc(N)c(-c2ncncn2)nc1-c1ncncn1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43

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
SCHEMBL373166 0.67 HSP90AA1 (0.50) HSP90AA1
SCHEMBL11100796 0.67 HSP90AA1 (0.52) HSP90AA1
SCHEMBL5907860 0.65 HSP90AA1 (0.57) HSP90AA1
Hydrochloric Acid SCHEMBL4760945 0.65 HSP90AA1 (0.47) HSP90AA1
SCHEMBL22229463 0.64 HSP90AA1 (0.40) HSP90AA1
SCHEMBL3804688 0.63 DGAT1 (0.47) HSP90AA1
SCHEMBL13911007 0.62 HSP90AA1 (0.44) HSP90AA1
SCHEMBL4458 0.62
SCHEMBL1923146 0.62
SCHEMBL9704689 0.62 HSP90AA1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP claimed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 WO claimed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP disclosed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 WO disclosed