SCHEMBL3500355

SCHEMBL3500355

Nc1cccc2c(-c3ccncc3)c[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 8/20 1.00
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ CLK1 P49759 1/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ DYRK1A Q13627 5/20 0.50
▸ GSK3B P49841 2/20 0.47
▸ NFATC1 O95644 1/20 0.47
▸ NTRK1 P04629 5/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CD O00329 1/20 0.42

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
SCHEMBL26698252 0.78 IMPDH2 (0.63) IMPDH2CLK1CDK5CDK5R1DYRK1A
SCHEMBL8115984 0.74 IMPDH2 (0.59) IMPDH2MAPK1HSD17B10PIK3CD
SCHEMBL17179567 0.73 IMPDH2 (0.57) IMPDH2HSD17B10CLK1CDK5CDK5R1
SCHEMBL238277 0.72 IMPDH2 (1.00) IMPDH2MAPK1HSD17B10DYRK1AGSK3B
SCHEMBL29431212 0.72 IMPDH2 (1.00) IMPDH2MAPK1HSD17B10DYRK1AGSK3B
SCHEMBL4788625 0.71 IMPDH2 (0.55) IMPDH2MAPK1HSD17B10CDK5
SCHEMBL1720510 0.70 PARP1 (0.72) IMPDH2MAPK1HSD17B10DYRK1AGSK3B
SCHEMBL31521724 0.70 IMPDH2 (0.52) IMPDH2CLK1CDK5CDK5R1DYRK1A
SCHEMBL18662633 0.70 DYRK1A (0.64) IMPDH2CLK1CDK5CDK5R1DYRK1A
SCHEMBL857678 0.69 IKBKE (0.64) IMPDH2MAPK1HSD17B10CLK1CDK5

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-20100133117-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 — — US disclosed
WO-2008097190-A1 METHODS OF ELECTRICALLY DETECTING A NUCLEIC ACID BY MEANS OF AN ELECTRODE PAIR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-08-14 — — WO disclosed
WO-2008018833-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-02-14 — — WO disclosed
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