SCHEMBL3786997

SCHEMBL3786997

Cn1cc(I)c(=O)nc1N

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HASPIN Q8TF76 1/20 0.30

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
SCHEMBL10105031 0.77 KDM4E (0.33) KDM4E
SCHEMBL13351590 0.71 HASPIN (0.30) HASPIN
SCHEMBL2070631 0.68 KDM4E (0.40) KDM4E
SCHEMBL19027634 0.67
Hydrochloric Acid SCHEMBL23214273 0.67
SCHEMBL2616842 0.66
SCHEMBL8238002 0.64 BACE1 (0.50)
SCHEMBL6280996 0.64 BACE1 (0.32)
SCHEMBL16296 0.64
SCHEMBL29951216 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741294-B1 Non-standard nucleobases implementing the isocytidine and isoguanosine hydrogen bonding patterns BENNER STEVEN ALBERT 2010-06-22 US disclosed