SCHEMBL21216287

SCHEMBL21216287

C#Cc1ccc(CN(CCO)CC2CCC(C)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ NR1D1 P20393 1/20 0.33
▸ GPR119 Q8TDV5 6/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ AGTR2 P50052 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ AR P10275 1/20 0.30
▸ STS P08842 1/20 0.30

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
SCHEMBL20535084 0.86 KDM1A (0.39) GPR119PTPRBPTPN11
SCHEMBL20535903 0.75 KDM1A (0.34) —
SCHEMBL21216112 0.74 JAK2 (0.44) JAK2JAK1PTPRBPTPN11KDM4E
SCHEMBL21216231 0.74 JAK2 (0.44) JAK2JAK1PTPRBPTPN11KDM4E
SCHEMBL20535067 0.74 KDM4E (0.37) AGTR2KDM4EHSD17B10
SCHEMBL21216118 0.73 KDM1A (0.46) JAK2JAK1PTPRBPTPN11KDM4E
SCHEMBL29081317 0.71 NR1H2 (0.38) HSD17B10
SCHEMBL29081315 0.71 NR1H2 (0.38) HSD17B10
SCHEMBL20535916 0.70 NR1D1 (0.35) NR1D1KDM4EHSD17B10
SCHEMBL9918104 0.69 NR1H2 (0.42) HSD17B10

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
WO-2019145713-A9 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2020-08-06 — — WO disclosed
WO-2019145713-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2019-08-01 — — WO disclosed
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