SCHEMBL5028282

SCHEMBL5028282

c1cc2c3ccncc3n(-c3cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)c3)c2cn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
KCNH2 Q12809 2/20 0.31
AOC3 Q16853 1/20 0.31
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31
DYRK1A Q13627 2/20 0.31
CDK9 P50750 1/20 0.31
DYRK2 Q92630 1/20 0.31
PGR P06401 1/20 0.30
NFATC1 O95644 1/20 0.30
GSK3B P49841 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
SCHEMBL2628349 0.92 NPC1 (0.33) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2628402 0.92 BTK (0.34) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2628381 0.91 BTK (0.35) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12126338 0.90 PLA2G2A (0.35) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2628338 0.88 BTK (0.38) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2628386 0.88 BTK (0.38) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10041356 0.88 PGR (0.38) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL804751 0.87 BTK (0.39) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL804799 0.87 NPC1 (0.35) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL804870 0.87 PLA2G2A (0.39) BTKPIK3CDPIK3CAPIK3CBPIK3CG

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-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed