SCHEMBL21663583

SCHEMBL21663583

Cc1c(I)ncc2nc(SCC(=O)Nc3ccc(F)c(O)c3)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 15/20 0.61
▸ LMNA P02545 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TP53 P04637 1/20 0.46

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
SCHEMBL20679617 0.89 ENPP1 (0.74) ENPP1LMNANPSR1MEN1MAPT
SCHEMBL30675617 0.89 ENPP1 (0.74) ENPP1LMNANPSR1MEN1MAPT
SCHEMBL21663584 0.87 ENPP1 (0.64) ENPP1
SCHEMBL21663413 0.84 ENPP1 (0.70) ENPP1LMNANPSR1MEN1MAPT
SCHEMBL21663415 0.84 ENPP1 (0.70) ENPP1LMNANPSR1MEN1MAPT
SCHEMBL20679534 0.80 ENPP1 (0.85) ENPP1LMNANPSR1
SCHEMBL30675624 0.80 ENPP1 (0.85) ENPP1LMNANPSR1
SCHEMBL20679569 0.79 ENPP1 (0.88) ENPP1LMNANPSR1MEN1MAPT
SCHEMBL30675561 0.79 ENPP1 (0.88) ENPP1LMNANPSR1MEN1MAPT
SCHEMBL20679592 0.76 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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