SCHEMBL29050696

SCHEMBL29050696

NC(=O)c1ccnc(C2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
CDC7 O00311 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
PRKD1 Q15139 6/20 0.40
PRKD2 Q9BZL6 6/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
ADRB1 P08588 1/20 0.39
PRKD3 O94806 1/20 0.39
PARP1 P09874 1/20 0.39
CHEK2 O96017 2/20 0.39

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
SCHEMBL6118725 0.91 PRKD1 (0.45) JAK2JAK1TYK2JAK3CDC7
SCHEMBL4173650 0.89 PROKR1 (0.48) DDB1CRBNKDM4BKDM5CKDM5B
SCHEMBL1846196 0.77 SLC6A2 (0.40) JAK2JAK1TYK2JAK3CDC7
SCHEMBL13490541 0.77 NNMT (0.46) JAK2JAK1TYK2JAK3CDC7
Trifluoroacetic Acid SCHEMBL20641568 0.76 KDM5C (0.39) DDB1CRBNKDM4BKDM5CKDM5B
SCHEMBL1035168 0.76 NPY5R (0.41) JAK2JAK1TYK2JAK3DDB1
Hydrochloric Acid SCHEMBL20969010 0.76 NNMT (0.45) JAK2JAK1TYK2JAK3CDC7
SCHEMBL13858261 0.76 HRH4 (0.49) MKNK1MKNK2HRH4
SCHEMBL31196421 0.75 AKR1C3 (0.45) DDB1CRBNKDM4BKDM5CKDM5B
SCHEMBL31196453 0.75 AKR1C3 (0.45) DDB1CRBNKDM4BKDM5CKDM5B

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-116589452-A Myricetin derivative containing piperidine amide, preparation method and application 贵州大学 2023-08-15 CN disclosed