SCHEMBL16613694

SCHEMBL16613694

CC1(C)C=Cc2nc(-n3c4ccccc4c4ccccc43)nc(-c3cccc4c3sc3ccccc34)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.35
ALOX5 P09917 1/20 0.34
PRKDC P78527 4/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
MAPT P10636 1/20 0.32
ADK P55263 1/20 0.31
HTT P42858 1/20 0.30
PAX8 Q06710 1/20 0.30
DUSP3 P51452 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
SCHEMBL16613406 0.86 PARP14 (0.33) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL16613523 0.84
SCHEMBL16613547 0.84 TUBB4A (0.36) MAPTDUSP3
SCHEMBL16613513 0.82 TUBB4A (0.35) DUSP3
SCHEMBL16613512 0.82 DUSP3 (0.32) DUSP3
SCHEMBL16613622 0.80 KDM4E (0.38) HTTDUSP3
SCHEMBL16613514 0.79 DUSP3 (0.30) DUSP3
SCHEMBL16613525 0.79 KDM4E (0.36) MAPTHTT
SCHEMBL16613446 0.79 PARP14 (0.34) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL16613766 0.78

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