SCHEMBL13199873

SCHEMBL13199873

CN(C)C(=O)CCCc1ncnc2[nH]c(=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 15/20 0.40
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 1/20 0.37
MAOB P27338 1/20 0.34
ENPP3 O14638 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL13199870 0.79 PDE3B (0.48) ENPP1PDE3BPDE3A
SCHEMBL12775783 0.73 PDE3B (0.57) ENPP1PDE3BPDE3AENPP3
SCHEMBL12775877 0.68 ENPP1 (0.39) ENPP1ENPP3NPC1RAB9A
SCHEMBL12776683 0.66 PDE3B (0.58) ENPP1PDE3BPDE3AENPP3
SCHEMBL2015028 0.65 PDE3B (0.53) ENPP1PDE3BPDE3AENPP3
SCHEMBL13199882 0.65 PDE3B (0.37) ENPP1PDE3BPDE3AENPP3NPC1
SCHEMBL12776514 0.64 ENPP1 (0.41) ENPP1PDE3BPDE3AENPP3
SCHEMBL23326745 0.63 ENPP1 (0.44) ENPP1PDE3BPDE3AENPP3
SCHEMBL24671871 0.63 ENPP1 (0.42) ENPP1PDE3BPDE3AENPP3
SCHEMBL7034638 0.63 ALOX5 (0.53) MAOB

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-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed