SCHEMBL16169822

SCHEMBL16169822

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2nc4c(nc2-3)C(C)(C)c2cc(-c3ccc(N(c5ccccc5)c5ccccc5)cc3)ccc2-4)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ AGTR1 P30556 2/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ ADORA1 P30542 2/20 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
SCHEMBL16169811 0.95 ADORA1 (0.32) PDK2TDP1KDM4EALDH1A1MAPT
SCHEMBL16169823 0.94 CTRC (0.35) PDK2MEN1KMT2ATDP1KDM4E
SCHEMBL16169799 0.94 CTRC (0.34) PDK2MEN1KMT2ATDP1KDM4E
SCHEMBL16169761 0.92 ALDH1A1 (0.32) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL16169838 0.92 PDK2 (0.32) PDK2ADORA1
SCHEMBL16169813 0.90 PDK2 (0.36) PDK2MEN1KMT2ATDP1KDM4E
SCHEMBL16169785 0.89 LPL (0.33) —
SCHEMBL16169777 0.89 LPL (0.33) —
SCHEMBL16169786 0.89 PSMB5 (0.30) —
SCHEMBL16169801 0.89 CYP11B1 (0.33) ALOX5PTGS1PTGS2TP53

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-9698356-B2 Heteroaryl-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-04 — — US disclosed
US-9698356-B2 Heteroaryl-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-04 — — US disclosed
US-20140306186-A1 HETEROARYL-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
US-20140306186-A1 HETEROARYL-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
Send feedback