SCHEMBL19986116

SCHEMBL19986116

c1ccc2c(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6oc5c43)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 0.31

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
SCHEMBL17451726 0.93 PRKDC (0.34) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL17405349 0.92 PRKDC (0.33) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL19986115 0.90 BRDT (0.32) BRDT
SCHEMBL22894089 0.89 PRKDC (0.33) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL19986112 0.88 NPC1 (0.33)
SCHEMBL19986110 0.87 PRKDC (0.34) PRKDCPIK3CDPIK3CB
SCHEMBL19986102 0.87 RAB9A (0.33)
SCHEMBL19985966 0.87 ALOX5 (0.33) PRKDCPIK3CDPIK3CB
SCHEMBL18926286 0.86 PRKDC (0.34) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL19986034 0.86 PIK3CD (0.31) PRKDCPIK3CDPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed