SCHEMBL31160458

SCHEMBL31160458

N#CC(=CC1CC1)C(=O)N1CCN(C2CN2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
BTK Q06187 7/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPX4 P36969 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK3 P52333 5/20 0.33
ERBB2 P04626 1/20 0.32
PKM P14618 1/20 0.32
NEK2 P51955 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
SCHEMBL13978156 0.80 ALDH1A1 (0.49) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL31160508 0.79 CHRNB2 (0.41) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL24481259 0.79 EGFR (0.38) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL20327081 0.79 ALDH1A1 (0.50) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL13978443 0.79 ALDH1A1 (0.48) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL20240589 0.76 ALDH1A1 (0.39) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL16907829 0.76 ALDH1A1 (0.39) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL23466689 0.76 ALDH1A1 (0.39) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL20326374 0.75 GPX4 (0.44) EGFRBTKALDH1A1KMT2AKDM4E
SCHEMBL24448452 0.75 HSD11B1 (0.42) EGFRBTKALDH1A1KMT2AKDM4E

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-119019389-A 7-Azaindole compound and synthetic method and application thereof 四川大学 2024-11-26 CN disclosed