SCHEMBL21494747

SCHEMBL21494747

COC(=O)c1ncc(NC(=O)Cc2c(N)nc(N)[nH]c2=O)cc1F.Nc1nc(N)c(CC(=O)Nc2cnc(C(=O)O)c(F)c2)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 19/20 0.67
▸ MTHFD1 P11586 1/20 0.63
▸ MTHFD2 P13995 1/20 0.63
▸ GART P22102 1/20 0.36

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
SCHEMBL21494644 0.96 FPR2 (0.69) FPR2MTHFD1MTHFD2GART
SCHEMBL21494613 0.93 FPR2 (0.72) FPR2MTHFD1MTHFD2GART
SCHEMBL29231716 0.92 FPR2 (0.64) FPR2MTHFD1MTHFD2GART
SCHEMBL29231831 0.86 FPR2 (0.63) FPR2MTHFD1MTHFD2GART
SCHEMBL21494722 0.80 FPR2 (1.00) FPR2MTHFD1MTHFD2
SCHEMBL30106791 0.80 FPR2 (1.00) FPR2MTHFD1MTHFD2
SCHEMBL21494720 0.80 FPR2 (1.00) FPR2MTHFD1MTHFD2
SCHEMBL25745634 0.79 FPR2 (0.72) FPR2MTHFD1MTHFD2GART
SCHEMBL28505981 0.79 FPR2 (0.49) FPR2MTHFD1MTHFD2
SCHEMBL28505982 0.79 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 disclosed
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 disclosed
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