SCHEMBL9940932

SCHEMBL9940932

NC(=O)c1ccc(-c2cnc3c(NCCCN4CCCC4=O)nccn23)c(C2CC2)c1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.39
BTK Q06187 1/20 0.39
TYRO3 Q06418 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL9941048 0.92 TTK (0.40) TTKBTKTYRO3ALDH1A1KDM4E
SCHEMBL9941150 0.85 FLT3 (0.43) TTKTYRO3
SCHEMBL9941295 0.84 TTK (0.46) TTKBTK
SCHEMBL9940957 0.83 TTK (0.54) TTKALDH1A1KDM4EHSD17B10
SCHEMBL9941106 0.81 TTK (0.45) TTK
SCHEMBL9941206 0.79 TTK (0.42) TTK
SCHEMBL9941302 0.78 TTK (0.43) TTKALDH1A1KDM4ENPC1RAB9A
SCHEMBL9940878 0.77 TTK (0.46) TTK
SCHEMBL9940930 0.77 TTK (0.56) TTK
SCHEMBL9940973 0.77 TTK (0.47) 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