SCHEMBL9940957

SCHEMBL9940957

CCCNc1nccn2c(-c3ccc(C(N)=O)c(O)c3C3CC3)cnc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.54
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FLT3 P36888 3/20 0.38

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
SCHEMBL9941106 0.93 TTK (0.45) TTKFLT3
SCHEMBL9941400 0.91 TTK (0.54) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9941206 0.88 TTK (0.42) TTK
SCHEMBL9941002 0.86 TTK (0.47) TTK
SCHEMBL9940878 0.84 TTK (0.46) TTK
SCHEMBL9941150 0.84 FLT3 (0.43) TTKFLT3
SCHEMBL9941057 0.84 TTK (0.53) TTKFLT3
SCHEMBL9941302 0.84 TTK (0.43) TTKKDM4EALDH1A1
SCHEMBL9940932 0.83 TTK (0.39) TTKKDM4EALDH1A1HSD17B10
SCHEMBL9941040 0.83 TTK (0.41) TTKKDM4E

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