SCHEMBL16169813

SCHEMBL16169813

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2nc4c(cc2-3)C(C)(C)c2cc(-c3ccc(N(c5ccccc5)c5ccccc5)cc3)ccc2-4)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL16169765 0.96 PDK2 (0.30) PDK2
SCHEMBL16169819 0.95 PDK2 (0.33) PDK2ALDH1A1HPGDL3MBTL1
SCHEMBL16169815 0.95 PDK2 (0.32) PDK2
SCHEMBL16169821 0.93 — —
SCHEMBL16169846 0.93 PDK2 (0.31) PDK2
SCHEMBL16169771 0.91 LPL (0.30) —
SCHEMBL16169802 0.91 LPL (0.30) —
SCHEMBL16169832 0.90 — —
SCHEMBL16169843 0.90 CYP11B1 (0.31) —
SCHEMBL16169822 0.90 PDK2 (0.36) PDK2MEN1KMT2AKDM4EALDH1A1

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