SCHEMBL22300263

SCHEMBL22300263

COc1cc2ncnc(N3CCC(CC(C)NC(N)=O)CC3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.64
MAPK1 P28482 1/20 0.59
ACHE P22303 2/20 0.55
BACE1 P56817 2/20 0.55
PDGFRB P09619 5/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT3 P36888 1/20 0.52
AURKA O14965 1/20 0.52
PDE10A Q9Y233 2/20 0.51

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
SCHEMBL22291145 0.84 ENPP1 (0.69) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL11091971 0.83 ENPP1 (0.68) ENPP1MAPK1ACHEBACE1AURKA
SCHEMBL11483724 0.83 ENPP1 (0.62) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL22291036 0.82 ENPP1 (0.72) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL20782445 0.81 ENPP1 (0.74) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL22300102 0.79 ENPP1 (0.78) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL22441523 0.79 ENPP1 (0.71) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL10616287 0.79 MAPK1 (0.64) ENPP1MAPK1ACHEBACE1AURKA
SCHEMBL31457638 0.79 ENPP1 (0.59) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL4969189 0.79 ENPP1 (0.82) ENPP1MAPK1ACHEBACE1PDE10A

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-2020160333-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-06 WO disclosed