SCHEMBL17691561

SCHEMBL17691561

Cc1cncc2cc(-c3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
PSMB5 P28074 2/20 0.42
TNKS2 Q9H2K2 1/20 0.42
DYRK3 O43781 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DYRK2 Q92630 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL6993140 0.79 CYP11B1 (0.44) CYP11B1CYP11B2DYRK3CLK1CLK2
SCHEMBL17691563 0.77 PRKCZ (0.54) PSMB5CYP19A1PRKCZPRKD2CYP1A2
SCHEMBL31514926 0.76 CYP1A2 (0.59) TNKS2L3MBTL1ESR1ESR2CYP1A2
SCHEMBL4548654 0.75 CYP1A2 (0.52) GAABACE1CYP1A2
SCHEMBL24622042 0.73 CYP1A2 (0.42) CYP11B1CYP11B2GAACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL30901629 0.72 CYP2A6 (0.50) CYP11B1CYP11B2PRKCZCYP1A2CYP3A4
SCHEMBL18574470 0.72 NOS1 (0.37) CYP1A2
SCHEMBL10918137 0.72 POLB (0.47) CYP3A4SMN1; SMN2
SCHEMBL10922411 0.72 HSD17B1 (0.42) CYP11B1CYP11B2DYRK1AGAACYP17A1
SCHEMBL23313172 0.71 TNKS2 (0.46) PSMB5TNKS2GAADHFRESR1

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed