SCHEMBL22063643

SCHEMBL22063643

Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB1 P08183 6/20 0.38
MAPK1 P28482 1/20 0.36
ABCC1 P33527 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL20110470 0.93 ABCG2 (0.42) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL20114531 0.92 ABCG2 (0.40) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21089852 0.92 ABCG2 (0.40) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL20150378 0.92 ABCG2 (0.40) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL27109998 0.90 CYP1A2 (0.40) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL20110494 0.90 CYP1A2 (0.40) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL20110552 0.89 L3MBTL1 (0.41) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL20110481 0.89 L3MBTL1 (0.41) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL20114564 0.89 CYP1A2 (0.39) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21089849 0.89 CYP1A2 (0.39) ABCG2CYP1A2CYP3A4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800732-B2 Organic light emitting diode and organic light emitting device having the same LG DISPLAY CO., LTD. (KR) 2023-10-24 US disclosed
US-11800732-B2 Organic light emitting diode and organic light emitting device having the same LG DISPLAY CO., LTD. (KR) 2023-10-24 US disclosed
US-20200185632-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME LG DISPLAY CO., LTD. (KR) 2020-06-11 US disclosed