SCHEMBL16613576

SCHEMBL16613576

c1ccc2c(c1)sc1c(-c3nc(-n4c5ccccc5c5ccccc54)nc4sccc34)cccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
ALOX5 P09917 1/20 0.36
PARP14 Q460N5 1/20 0.34
VCP P55072 1/20 0.34
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRDT Q58F21 1/20 0.32
ADK P55263 1/20 0.32
MAPT P10636 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL16613629 0.90 PIK3CD (0.32) PRKDCPIK3CDPIK3CBALOX5VCP
SCHEMBL16613723 0.89 ALOX5 (0.35) PRKDCPIK3CDPIK3CBALOX5VCP
SCHEMBL16613750 0.84 ALOX5 (0.36) PRKDCPIK3CDPIK3CBALOX5PARP14
SCHEMBL16613528 0.84 VCP (0.30) VCP
SCHEMBL16613530 0.83 VCP (0.37) VCPHTTMAPT
SCHEMBL16613532 0.81 VCP (0.36) VCPMAPT
SCHEMBL16613531 0.80 ADORA2A (0.39) VCPMAPT
SCHEMBL16613346 0.80 ALOX5 (0.36) PRKDCPIK3CDPIK3CBALOX5PARP14
SCHEMBL16613388 0.80 PRKDC (0.36) PRKDCPIK3CDPIK3CBALOX5PARP14
SCHEMBL16613488 0.79 KDM4E (0.40) VCPHTT

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