SCHEMBL16768564

SCHEMBL16768564

Nc1c(Nc2cccnc2)c2ccncc2c2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 7/20 0.58
RAD52 P43351 1/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 4/20 0.46
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CLK1 P49759 1/20 0.39
KIF11 P52732 1/20 0.39
PDE4B Q07343 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PNP P00491 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL16768562 0.89 IDO1 (0.57) TDO2RAD52KMT2AIDO1MAPK1
SCHEMBL16768570 0.76 TDO2 (0.48) TDO2IDO1ALDH1A1KIF11
SCHEMBL16247580 0.74 TDO2 (1.00) TDO2IDO1
SCHEMBL16768567 0.74 IDO1 (0.40) TDO2IDO1
SCHEMBL7346763 0.73 TDO2 (0.50) TDO2RAD52KMT2AADRA2AADRA2B
SCHEMBL29793056 0.72 KIF11 (0.60) RAD52KMT2AADRA2AADRA2BADRA2C
SCHEMBL1368828 0.72 KIF11 (0.60) RAD52KMT2AADRA2AADRA2BADRA2C
SCHEMBL16755955 0.72 AXL (0.50) RAD52KMT2AALDH1A1MAPTMAPK1
SCHEMBL16089612 0.69 TDO2 (0.49) TDO2RAD52KMT2AADRA2AADRA2B
SCHEMBL16035726 0.69 TDO2 (0.49) TDO2RAD52KMT2AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed