SCHEMBL16613389

SCHEMBL16613389

c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3ccoc23)c(-c2cccc3ccccc23)c1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
RORC P51449 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
SCHEMBL16613374 0.96 PIK3CD (0.31) PIK3CDPIK3CARORC
SCHEMBL16613764 0.91 TUBB4A (0.34) PIK3CDPIK3CARORC
SCHEMBL16613375 0.90 KDM4E (0.32) PIK3CDPIK3CARORC
SCHEMBL16613376 0.88 PIK3CD (0.32) PIK3CDPIK3CARORC
SCHEMBL16613329 0.87 KDM4E (0.33) RORC
SCHEMBL16613763 0.86 TUBB4A (0.35) PIK3CDPIK3CARORC
SCHEMBL16613305 0.85 HPGD (0.36) PIK3CDPIK3CARORC
SCHEMBL16613355 0.85 PRKDC (0.33) PIK3CDPIK3CA
SCHEMBL16613390 0.84
SCHEMBL16613306 0.83 ALDH1A1 (0.35) PIK3CDPIK3CARORC

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed