SCHEMBL31483078

SCHEMBL31483078

Cn1cnc(CCNC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
MTOR P42345 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NAMPT P43490 2/20 0.46
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HPGDS O60760 1/20 0.36
F10 P00742 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.35
MAPK1 P28482 2/20 0.34
CPB2 Q96IY4 2/20 0.33
CPB1 P15086 1/20 0.33
TRHR P34981 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
SCHEMBL4388519 0.85 CYP2C9 (0.51) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL31483145 0.82 CPB2 (0.52) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12827371 0.80 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL9953900 0.78 CYP2C9 (0.59) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2084230 0.78 ALDH1A1 (0.48) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12827372 0.78 CYP2C9 (0.44) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2178770 0.77 HRH4 (0.62) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL19051478 0.77 TSHR (0.45) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL7422764 0.77 TDP1 (0.61) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL31369584 0.76 HRH4 (0.49) CYP2C9TSHRCYP2C19MTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed