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Sugi Predict / Compounds / SCHEMBL21494598

SCHEMBL21494598

SCHEMBL21494598

Nc1nc(N)c(NC(=O)Nc2ccc(N(C=O)[C@@H](CC(=O)O)C(=O)O)nc2)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 19/20 0.61
▸ MTHFD1 P11586 1/20 0.49
▸ MTHFD2 P13995 1/20 0.49

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
SCHEMBL21494615 0.91 FPR2 (0.62) FPR2MTHFD1MTHFD2
SCHEMBL21494702 0.90 FPR2 (0.63) FPR2MTHFD1MTHFD2
SCHEMBL21494602 0.89 FPR2 (0.62) FPR2MTHFD1MTHFD2
SCHEMBL21494696 0.88 FPR2 (0.64) FPR2MTHFD1MTHFD2
SCHEMBL21494706 0.88 FPR2 (0.64) FPR2MTHFD1MTHFD2
SCHEMBL21494632 0.85 FPR2 (0.71) FPR2MTHFD1MTHFD2
SCHEMBL21494636 0.85 FPR2 (0.71) FPR2MTHFD1MTHFD2
SCHEMBL21494694 0.85 FPR2 (0.60) FPR2MTHFD1MTHFD2
SCHEMBL21494605 0.84 FPR2 (0.61) FPR2MTHFD1MTHFD2
SCHEMBL25438603 0.84 FPR2 (0.49) FPR2MTHFD1MTHFD2

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-3781554-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY Thomas Helledays stiftelse för medicinsk forskning (SE) 2021-02-24 — — EP claimed
WO-2019201991-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-10-24 — — WO claimed