SCHEMBL25745966

SCHEMBL25745966

N/N=C(/CCCNC(=O)c1ncc(NC(N)=O)cc1F)NN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 10/20 0.39
▸ EGLN1 Q9GZT9 7/20 0.39
▸ FPR2 P25090 3/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MTHFD1 P11586 1/20 0.33
▸ MTHFD2 P13995 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ HDAC3 O15379 4/20 0.32
▸ HDAC1 Q13547 4/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL25745901 0.82 SMN1; SMN2 (0.42) EGLN2EGLN1HDAC1
SCHEMBL25745892 0.80 NAMPT (0.41) HDAC3HDAC1ALDH1A1
SCHEMBL25745974 0.73 DYRK1A (0.41) FPR2BACE1ALDH1A1
SCHEMBL21515061 0.68 CYP3A4 (0.47) EGLN2EGLN1ALDH1A1
SCHEMBL21515083 0.67 CYP3A4 (0.48) ALDH1A1
SCHEMBL21515092 0.66 CYP1A2 (0.45) HDAC3HDAC1ALDH1A1
SCHEMBL25745634 0.64 FPR2 (0.72) EGLN2EGLN1FPR2MTHFD1MTHFD2
SCHEMBL107626 0.62 BACE1 (0.42) BACE1ALDH1A1
SCHEMBL19435882 0.62 BACE1 (0.41) FPR2MTHFD1MTHFD2BACE1ALDH1A1
SCHEMBL10083553 0.61 KDM4E (0.51) ALDH1A1

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-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 — — EP disclosed
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