SCHEMBL9568513

SCHEMBL9568513

CCC(C)n1ccc2c3c(N)nc(N)nc3ccc21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 9/20 0.81
▸ DHFR P00374 9/20 0.79
▸ F2R P25116 3/20 0.56

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
SCHEMBL9568734 0.90 SLC2A1 (1.00) SLC2A1DHFRF2R
SCHEMBL9568542 0.88 DHFR (1.00) SLC2A1DHFRF2R
SCHEMBL9568566 0.87 SLC2A1 (1.00) SLC2A1DHFRF2R
Water SCHEMBL9568544 0.87 DHFR (0.97) SLC2A1DHFRF2R
SCHEMBL9568637 0.86 DHFR (0.73) SLC2A1DHFRF2R
SCHEMBL9568528 0.84 SLC2A1 (0.88) SLC2A1DHFRF2R
SCHEMBL9568740 0.83 SLC2A1 (0.97) SLC2A1DHFRF2R
Hydrochloric Acid SCHEMBL9568541 0.82 SLC2A1 (1.00) SLC2A1DHFRF2R
SCHEMBL9568550 0.80 DHFR (0.75) SLC2A1DHFRF2R
SCHEMBL28678386 0.78 SLC2A1 (0.73) SLC2A1DHFRF2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073175-A Heterogeneous ring compound WELLCOME FOUND (GB) 1993-06-16 — — CN claimed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 — — EP claimed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 — — EP disclosed
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