SCHEMBL9940973

SCHEMBL9940973

Cc1c(C(N)=O)ccc(-c2cnc3c(NCCCO)nccn23)c1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.47
FLT3 P36888 3/20 0.41

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
SCHEMBL9941132 0.97 TTK (0.47) TTKFLT3
SCHEMBL9941057 0.95 TTK (0.53) TTKFLT3
SCHEMBL9941400 0.91 TTK (0.54) TTKFLT3
SCHEMBL9941175 0.91 TTK (0.45) TTKFLT3
SCHEMBL9941468 0.90 FLT3 (0.45) TTKFLT3
SCHEMBL9940840 0.89 TTK (0.46) TTKFLT3
SCHEMBL9941086 0.89 TTK (0.53) TTK
SCHEMBL9940991 0.87 FLT3 (0.43) TTKFLT3
SCHEMBL9942359 0.86 TTK (0.47) TTK
SCHEMBL9941032 0.86 TTK (0.51) TTK

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
EP-2651948-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP claimed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO claimed