SCHEMBL15977004

SCHEMBL15977004

C=Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
ALK Q9UM73 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL5031008 0.96 ALDH1A1 (0.37) PDK2ALKALDH1A1MEN1KMT2A
SCHEMBL11910217 0.93 TDP1 (0.37) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10160360 0.92 ALDH1A1 (0.34) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2602462 0.92 PDK2 (0.39) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL19050749 0.91 PDK2 (0.33) PDK2ALKALDH1A1MEN1KMT2A
SCHEMBL17011041 0.91 ALDH1A1 (0.33) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL19496912 0.90 ALDH1A1 (0.34) PDK2ALDH1A1TDP1TSHRTP53
SCHEMBL24141481 0.89 HDAC2 (0.35) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL14948207 0.89 PDK2 (0.35) PDK2
SCHEMBL2602496 0.89 PDK2 (0.37) PDK2ALKALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9391282-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-12 US disclosed
US-9391282-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-12 US disclosed
EP-2769977-B1 Heterocyclic Compound and Organic Light-Emitting Diode including the same SAMSUNG DISPLAY CO LTD (KR) 2015-10-14 EP disclosed
US-20140239260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-28 US disclosed
US-20140239260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-28 US disclosed
EP-2769977-A1 Heterocyclic Compound and Organic Light-Emitting Diode including the same Samsung Display Co., Ltd. (KR) 2014-08-27 EP disclosed