SCHEMBL28731548

SCHEMBL28731548

CN(CCC1CCNCC1)CC1CCC(N2Cc3cc([N+](=O)[O-])c(N(C)C)cc3C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL28731550 1.00 ITGB3 (0.34) ITGB3ITGA2BSMN1; SMN2JAK2JAK1
SCHEMBL28731564 0.83 GPR119 (0.37) SMN1; SMN2
SCHEMBL28731544 0.83 ALDH1A1 (0.36)
SCHEMBL28731543 0.83 ALDH1A1 (0.36)
SCHEMBL28731906 0.76 ALDH1A1 (0.35)
SCHEMBL28731907 0.76 ALDH1A1 (0.35)
SCHEMBL29653373 0.68 MAOA (0.36) JAK2JAK1TYK2JAK3
SCHEMBL26353445 0.68 MAOA (0.36) JAK2JAK1TYK2JAK3
SCHEMBL22836000 0.68 MAOA (0.36) JAK2JAK1TYK2JAK3
SCHEMBL22835245 0.68 SCN1A (0.38)

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-114437035-A Compound for inhibiting and degrading IRAK4, pharmaceutical composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-05-06 CN disclosed