SCHEMBL28525899

SCHEMBL28525899

N#Cc1ncn(CCCn2cnc(C#N)c2C#N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.36
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL28816139 0.85 TGFBR1 (0.33)
SCHEMBL28729433 0.80 CSNK2A1 (0.43) CSNK2A1ALDH1A1
SCHEMBL13510793 0.80 PKM (0.35) CTSL
SCHEMBL5744439 0.73 CYP11B1 (0.47) ALDH1A1CTSL
SCHEMBL8470119 0.72 NSD2 (0.31)
SCHEMBL11484296 0.72 CYP11B1 (0.46) ALDH1A1
SCHEMBL29087006 0.71 NSD2 (0.30)
SCHEMBL11483649 0.71 CYP2A6 (0.42)
SCHEMBL11484357 0.71 TOP2A (0.38) HSD17B10ALDH1A1
SCHEMBL11484260 0.71 PKM (0.44) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776636-B Thermosetting resin based on imidazole dinitrile reactive groups and preparation method thereof 四川大学 2021-02-05 CN disclosed
CN-110776636-A Thermosetting resin based on imidazole dinitrile reactive groups and preparation method thereof 四川大学 2020-02-11 CN disclosed