Sugi Predict

Sugi Predict / Compounds / SCHEMBL18405147

SCHEMBL18405147

SCHEMBL18405147

C=C(CN)Nc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.73
▸ GUCY1A2 P33402 20/20 0.73
▸ GUCY1A1 Q02108 20/20 0.73
▸ GUCY1B1 Q02153 20/20 0.73
▸ OPRK1 P41145 1/20 0.64

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
SCHEMBL18404990 0.91 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437566 0.90 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899070 0.89 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405009 0.89 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899350 0.89 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068500 0.88 GUCY1B2 (0.76) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437608 0.88 GUCY1B2 (0.76) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437577 0.88 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436901 0.88 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437158 0.87 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 — — EP disclosed