SCHEMBL17848825

SCHEMBL17848825

[N-]=[N+]=NCC(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ UCHL1 P09936 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ PARK7 Q99497 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
SCHEMBL27165476 0.92 ALDH1A1 (0.38) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL13655626 0.84 ATM (0.45) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL18803167 0.83 GAA (0.42) KMT2ATDP1JAK2JAK1GAA
SCHEMBL28395559 0.82 ATM (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL29969222 0.79 CA2 (0.39) KMT2AJAK2JAK1GAAUCHL1
SCHEMBL13655637 0.79 L3MBTL1 (0.48) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL17848849 0.79 JAK2 (0.33) JAK2JAK1
SCHEMBL19121772 0.78 POLB (0.35) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL15832603 0.77 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL17820875 0.75 USP2 (0.45) MEN1KMT2AUSP2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233863-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2017-10-25 — — EP disclosed
WO-2016097869-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO., LTD. (KR) 2016-06-23 — — WO disclosed
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