SCHEMBL158554

SCHEMBL158554

[c]1nccc2ccncc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRKCZ Q05513 1/20 0.31
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL159538 0.84 PRKCZ (0.33) CLK1DYRK1APRKCZKDM4E
SCHEMBL27674458 0.82 PRKCZ (0.32) CLK1DYRK1APRKCZKDM4E
SCHEMBL4751487 0.77 CLK1 (0.42) CLK1DYRK1APRKCZ
SCHEMBL4751091 0.77 CLK1 (0.42) CLK1DYRK1APRKCZ
SCHEMBL3945817 0.76
SCHEMBL25836 0.76 CLK1 (0.42) CLK1DYRK1ATNFKDM4EPOLB
SCHEMBL2080 0.73 ALDH1A1 (0.35) KDM4E
SCHEMBL3897125 0.73 CLK1 (0.32) CLK1DYRK1A
SCHEMBL16717215 0.73 CLK1 (0.35) CLK1DYRK1APRKCZKDM4EPOLB
SCHEMBL17511873 0.73 IMPDH2 (0.42) CLK1DYRK1APRKCZKDM4EHTT

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 1084 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024106781-A1 LIPID COMPOUND AND COMPOSITION FOR DELIVERY OF ACTIVE SUBSTANCE 한국생명공학연구원 2024-05-23 WO claimed
CN-117700432-A Organic compound and organic electroluminescent device containing same 清华大学 2024-03-15 CN claimed
CN-110526900-B Organic electroluminescent material and device 北京鼎材科技有限公司 2023-12-01 CN claimed
CN-117088869-A 3CL protease inhibitor and preparation method and application thereof 上海翊石医药科技有限公司 2023-11-21 CN claimed
CN-116836193-A Organic compound, application thereof and organic electroluminescent device comprising same 清华大学 2023-10-03 CN claimed
CN-116496282-A Heterocyclic compound and application thereof 浙江八亿时空先进材料有限公司 2023-07-28 CN claimed
CN-111490175-B Organic light emitting device 三星显示有限公司 2023-06-06 CN claimed
CN-111211247-B Organic light emitting device 三星显示有限公司 2023-04-18 CN claimed
CN-112670425-A Organic light emitting device 三星显示有限公司 2021-04-16 CN claimed
CN-107359257-B Organic light emitting device 三星显示有限公司 2021-03-05 CN claimed
US-5981537-A USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE PHARMACIA & UPJOHN COMPANY (US) 1999-11-09 US claimed
WO-1999019304-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO claimed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO claimed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP claimed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO claimed
EP-0728130-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-28 EP claimed
WO-1995013267-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS THE UPJOHN COMPANY (US) 1995-05-18 WO claimed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US claimed
US-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US claimed