SCHEMBL17827121

SCHEMBL17827121

Cn1ccc2nc(CN)cnc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
DYRK1A Q13627 1/20 0.33
APP P05067 1/20 0.32
PDE10A Q9Y233 2/20 0.32
CARM1 Q86X55 1/20 0.31
GRM5 P41594 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
SCHEMBL23937773 0.84 BRD9 (0.33) PIK3CBBRD9DYRK1AAPPPDE10A
SCHEMBL13573819 0.77 PIK3CB (0.44) PIK3CBBRD9DYRK1AAPPGRM5
SCHEMBL12032318 0.76 PIK3C3 (0.32)
SCHEMBL18855397 0.76
SCHEMBL16511362 0.74 BRD9 (0.36) PIK3CBBRD9APPGRM5
SCHEMBL30912393 0.73 MAPK1 (0.39) PIK3CBBRD9APPGRM5
SCHEMBL20673864 0.73 BRD9 (0.35) PIK3CBBRD9APPGRM5
SCHEMBL13573893 0.73 MAPK1 (0.39) PIK3CBBRD9APPGRM5
SCHEMBL12032587 0.72 PIK3CB (0.34) PIK3CBBRD9APPGRM5
SCHEMBL18855869 0.72 NPC1 (0.32)

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
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed