SCHEMBL21402018

SCHEMBL21402018

CCNCC1CNCCN1C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.36
AURKB Q96GD4 3/20 0.36
KCNH2 Q12809 2/20 0.33

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
SCHEMBL2920814 0.81 SYK (0.37) SYKAURKBKCNH2
SCHEMBL20942546 0.79 SYK (0.34) SYKAURKBKCNH2
SCHEMBL3827538 0.78
SCHEMBL1414945 0.78
SCHEMBL3833143 0.78
Dimethylamine SCHEMBL2439213 0.77 KAT7 (0.36) SYKAURKBKCNH2
Hydrochloric Acid SCHEMBL21354130 0.76 KAT7 (0.33) SYKAURKB
Hydrochloric Acid SCHEMBL28826917 0.76 KAT7 (0.33) SYKAURKB
Hydrochloric Acid SCHEMBL28826916 0.76 KAT7 (0.33) SYKAURKB
Ammonia Solution, Strong SCHEMBL27651612 0.76 KAT7 (0.33) SYKAURKB

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
WO-2019183133-A1 Pan-Tropic Entry Inhibitors EMORY UNIVERSITY (US) 2019-09-26 WO disclosed