Sugi Predict

Sugi Predict / Compounds / SCHEMBL23356264

SCHEMBL23356264

SCHEMBL23356264

CC(C)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.66
▸ JAK1 P23458 19/20 0.60
▸ JAK3 P52333 19/20 0.60
▸ JAK2 O60674 11/20 0.56
▸ CYP3A4 P08684 8/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ TYK2 P29597 1/20 0.55

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
Formic Acid SCHEMBL29359091 0.97 AURKA (0.61) AURKAJAK1JAK3JAK2CYP3A4
Formic Acid SCHEMBL525266 0.97 AURKA (0.61) AURKAJAK1JAK3JAK2CYP3A4
SCHEMBL341153 0.90 JAK1 (0.67) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389207 0.88 JAK1 (0.65) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356258 0.88 JAK1 (0.60) AURKAJAK1JAK3JAK2CYP3A4
SCHEMBL23356332 0.86 AURKA (0.67) AURKAJAK1JAK3JAK2CYP3A4
SCHEMBL23356180 0.85 AURKA (0.61) AURKAJAK1JAK3JAK2CYP3A4
SCHEMBL15389661 0.85 JAK1 (0.66) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356153 0.85 AURKA (0.66) AURKAJAK1JAK3JAK2CYP3A4
Formic Acid SCHEMBL524198 0.85 JAK1 (0.61) JAK1JAK3JAK2CYP3A4CYP1A2

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
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 — — EP claimed