SCHEMBL21393414

SCHEMBL21393414

CN(C)CC(=O)CNc1nc2nc[nH]c(=O)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
XDH P47989 3/20 0.32
GDA Q9Y2T3 1/20 0.32
ALDH1A1 P00352 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL26155903 0.85 TRPA1 (0.38) JAK3POLBCYP2D6CYP1A2XDH
SCHEMBL21393418 0.79 SMN1; SMN2 (0.40) POLBCYP2D6CYP1A2XDHALDH1A1
SCHEMBL21393365 0.79 CYP3A4 (0.40) POLBXDHALDH1A1
SCHEMBL26155899 0.76 GDA (0.48) JAK3POLBGDAALDH1A1
SCHEMBL21393574 0.75 POLB (0.41) POLBXDHGDAALDH1A1
SCHEMBL21393579 0.74 LMNA (0.44) POLB
SCHEMBL26155912 0.71 RECQL (0.46) ALDH1A1
SCHEMBL21363641 0.67 POLB (0.44) POLBALDH1A1PDE4APDE4BPDE4C
SCHEMBL21393345 0.67 TRPA1 (0.39) POLBXDHGDAALDH1A1
SCHEMBL21353905 0.66 POLB (0.43) JAK3POLBALDH1A1PDE4APDE4B

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed