SCHEMBL21369604

SCHEMBL21369604

CNc1ncc(CN2CCC(C(C)c3ncc(F)cn3)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 15/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ACKR3 P25106 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL21369451 0.94 OGA (0.46) OGASMN1; SMN2ACKR3ALDH1A1
SCHEMBL21369603 0.87 OGA (0.58) OGA
SCHEMBL27099999 0.84 OGA (0.37) OGASMN1; SMN2ACKR3PSEN1PSEN2
SCHEMBL21369605 0.83 JAK2 (0.31)
SCHEMBL21370126 0.81 OGA (0.62) OGA
SCHEMBL21370129 0.81 OGA (0.62) OGA
SCHEMBL28569607 0.81 OGA (0.62) OGA
SCHEMBL21370046 0.81 OGA (0.62) OGA
SCHEMBL21370125 0.81 OGA (0.62) OGA
SCHEMBL21369450 0.81 OGA (0.62) OGA

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-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 WO disclosed