SCHEMBL25584347

SCHEMBL25584347

C#COC(CO)CCn1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TK1 P04183 2/20 0.41
▸ PDE3A Q14432 1/20 0.40
▸ HPRT1 P00492 1/20 0.37

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
SCHEMBL23487511 0.89 MEN1 (0.46) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL22399456 0.81 MEN1 (0.44) KDM4EMEN1KMT2ATSHRTK1
SCHEMBL25781533 0.80 TK1 (0.58) KDM4EMEN1KMT2ATSHRTK1
SCHEMBL22571148 0.78 MEN1 (0.52) KDM4EMEN1KMT2ATSHRTK1
SCHEMBL22907647 0.78 MEN1 (0.42) KDM4EMEN1KMT2ATSHRTK1
SCHEMBL3457921 0.76 MEN1 (0.50) KDM4EMEN1KMT2ATSHRTK1
SCHEMBL16310639 0.76 MEN1 (0.42) KDM4EMEN1KMT2ATSHRTK1
SCHEMBL22875772 0.76 MEN1 (0.64) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL26230855 0.76 MEN1 (0.46) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL5930447 0.75 MEN1 (0.60) KDM4EMEN1KMT2ATSHRTK1

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-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
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