SCHEMBL24254931

SCHEMBL24254931

Cc1c(N)c(C)c(N)c(N)c1N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14308323 0.95 POLB (0.35) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL25011939 0.91 POLB (0.33) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL6568058 0.91 POLB (0.37) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL15926028 0.91 POLB (0.37) POLBCYP3A4TSHRPIK3CAALDH1A1
Hydrochloric Acid SCHEMBL6865152 0.86 POLB (0.35) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL7140390 0.86 POLB (0.35) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL682204 0.82 POLB (0.33) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL10961520 0.82 POLB (0.33) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL263364 0.80 POLB (0.37) POLBCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL392463 0.76 POLB (0.35) POLBCYP3A4TSHRPIK3CAALDH1A1

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
CN-116375602-A Method for photochemically synthesizing benzonitrile by using arylthianthrene salt 河南大学 2023-07-04 CN disclosed
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
EP-4019505-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, METHOD FOR MANUFACTURING THE SAME AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT EMITTING DEVICE LT Materials Co., Ltd. (KR) 2022-06-29 EP disclosed
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed