SCHEMBL21663584

SCHEMBL21663584

COc1ccc(NC(=O)CSc2nc3cnc(I)c(C)c3[nH]2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 19/20 0.64
▸ FPR2 P25090 1/20 0.54

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
SCHEMBL20679592 0.89 ENPP1 (0.75) ENPP1
SCHEMBL30675608 0.89 ENPP1 (0.75) ENPP1
SCHEMBL21663583 0.87 ENPP1 (0.61) ENPP1
SCHEMBL20679610 0.84 ENPP1 (0.65) ENPP1FPR2
SCHEMBL30675581 0.82 ENPP1 (0.74) ENPP1FPR2
SCHEMBL20679568 0.82 ENPP1 (0.74) ENPP1FPR2
SCHEMBL30675565 0.80 ENPP1 (0.88) ENPP1FPR2
SCHEMBL20679570 0.80 ENPP1 (0.88) ENPP1FPR2
SCHEMBL20679543 0.80 ENPP1 (0.75) ENPP1
SCHEMBL30675583 0.80 ENPP1 (0.75) ENPP1

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
WO-2020028724-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2020-02-06 — — WO disclosed
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