SCHEMBL16613629

SCHEMBL16613629

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-c2cccc3c2sc2ccccc23)c2ccsc2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PRKDC P78527 1/20 0.32
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
ALOX5 P09917 1/20 0.31
VCP P55072 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
SCHEMBL16613576 0.90 PRKDC (0.36) PIK3CDPIK3CBPRKDCHTTPAX8
SCHEMBL16613625 0.88 VCP (0.34) VCP
SCHEMBL14233145 0.86 ALOX5 (0.33) PIK3CDPIK3CBPRKDCALOX5
SCHEMBL16613715 0.86 VCP (0.33) VCP
SCHEMBL16613714 0.83 VCP (0.34) VCP
SCHEMBL16613394 0.83 PRKDC (0.32) PIK3CDPIK3CBPRKDCALOX5
SCHEMBL16613483 0.83 ADK (0.32) PIK3CDPIK3CBPRKDCALOX5
SCHEMBL16613702 0.82 VCP (0.32) VCP
SCHEMBL16613721 0.82 KDM4E (0.33) VCP
SCHEMBL16613723 0.81 ALOX5 (0.35) PIK3CDPIK3CBPRKDCALOX5VCP

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