SCHEMBL28505982

SCHEMBL28505982

COC(=O)c1ncc(N)cc1F.Nc1nc(N)c(NC(=O)CNc2cnc(C(=O)O)c(F)c2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 19/20 0.49
▸ MTHFD1 P11586 1/20 0.41
▸ MTHFD2 P13995 1/20 0.41
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL28505981 1.00 FPR2 (0.49) FPR2MTHFD1MTHFD2MEN1NPC1
SCHEMBL21494610 0.80 FPR2 (0.68) FPR2MTHFD1MTHFD2
SCHEMBL21494747 0.79 FPR2 (0.67) FPR2MTHFD1MTHFD2
SCHEMBL21494742 0.77 FPR2 (0.71) FPR2MTHFD1MTHFD2
SCHEMBL21494644 0.75 FPR2 (0.69) FPR2MTHFD1MTHFD2
SCHEMBL21494613 0.72 FPR2 (0.72) FPR2MTHFD1MTHFD2
SCHEMBL30945386 0.71 FPR2 (0.64) FPR2MTHFD1MTHFD2
SCHEMBL29231716 0.71 FPR2 (0.64) FPR2MTHFD1MTHFD2
SCHEMBL14659730 0.69 NPSR1 (0.41) —
SCHEMBL21515026 0.66 FPR2 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218858-A 2, 6-diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2021-01-12 — — CN disclosed
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