SCHEMBL7015233

SCHEMBL7015233

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCCCC3)cc(CSc3nnc(CC)s3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.39
JAK2 O60674 2/20 0.39
NPY1R P25929 8/20 0.39
JAK1 P23458 3/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HDAC4 P56524 1/20 0.34
MEF2D Q14814 1/20 0.34

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
SCHEMBL647566 0.93 NPY1R (0.46) JAK3JAK2NPY1RJAK1
SCHEMBL7016594 0.90 MAPT (0.34) JAK3JAK2NPY1RJAK1TP53
SCHEMBL7016779 0.86 NPY1R (0.46) JAK3JAK2NPY1RJAK1
SCHEMBL7018703 0.86 NPY1R (0.45) JAK3JAK2NPY1RJAK1
SCHEMBL7011726 0.85 NPY1R (0.51) JAK3JAK2NPY1RJAK1
SCHEMBL7010930 0.85 NPY1R (0.46) JAK3JAK2NPY1RJAK1
SCHEMBL7017021 0.85 NPY1R (0.46) JAK3JAK2NPY1RJAK1
SCHEMBL7011569 0.84 NPY1R (0.48) JAK3JAK2NPY1RJAK1SMN1; SMN2
SCHEMBL7012025 0.84 NPY1R (0.45) JAK3JAK2NPY1RJAK1
SCHEMBL7012625 0.84 NPY1R (0.51) NPY1R

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
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed