SCHEMBL21574309

SCHEMBL21574309

N#Cc1ccc2c(c1)CN([S+]([O-])c1cccs1)CCN2Cc1cnc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 17/20 0.52
▸ FNTB P49356 17/20 0.52
▸ HRAS P01112 1/20 0.52
▸ KRAS P01116 1/20 0.52
▸ PGGT1B P53609 1/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL22050804 0.80 FNTA (0.69) FNTAFNTBHRASKRASPGGT1B
SCHEMBL20387085 0.79 FNTA (0.67) FNTAFNTBHRASKRASPGGT1B
SCHEMBL15977117 0.71 FNTA (0.77) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL16499911 0.69 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL94663 0.69 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B
SCHEMBL13428549 0.69 FNTA (0.77) FNTAFNTBHRASKRASPGGT1B
SCHEMBL22050803 0.68 FNTA (0.86) FNTAFNTBHRASKRASPGGT1B
SCHEMBL20387082 0.67 FNTA (0.74) FNTAFNTBHRASKRASPGGT1B
SCHEMBL13524156 0.63 FNTA (0.76) FNTAFNTBHRASKRASPGGT1B
SCHEMBL13428513 0.63 FNTA (0.65) FNTAFNTBHRASKRASPGGT1B

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-2947098-B1 COMBINATION OF ANTI-CTLA4 ANTIBODY WITH GEMCITABINE FOR THE SYNERGISTIC TREATMENT OF PROLIFERATIVE DISEASES BRISTOL MYERS SQUIBB CO (US) 2019-11-20 — — EP disclosed
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