SCHEMBL21663586

SCHEMBL21663586

COc1cc2nc(NC(=O)CSc3nc4cc(I)ncc4[nH]3)sc2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 19/20 0.81
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 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
SCHEMBL20679562 0.89 ENPP1 (1.00) ENPP1
SCHEMBL30675629 0.89 ENPP1 (1.00) ENPP1
SCHEMBL21663585 0.83 ENPP1 (0.79) ENPP1ALDH1A1MAPTHPGD
SCHEMBL21663412 0.78 ENPP1 (0.80) ENPP1
SCHEMBL21663424 0.78 ENPP1 (0.80) ENPP1
SCHEMBL21663582 0.76 ENPP1 (0.79) ENPP1MAPT
SCHEMBL20679588 0.72 ENPP1 (1.00) ENPP1ALDH1A1MAPT
SCHEMBL30675573 0.72 ENPP1 (1.00) ENPP1ALDH1A1MAPT
SCHEMBL15288025 0.72 MAPT (0.71) ENPP1ALDH1A1MAPTHPGD
SCHEMBL20687574 0.71 ENPP1 (1.00) 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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