SCHEMBL20387085

SCHEMBL20387085

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 13/20 0.67
▸ FNTB P49356 13/20 0.67
▸ HRAS P01112 1/20 0.67
▸ KRAS P01116 1/20 0.67
▸ PGGT1B P53609 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL15977117 0.84 FNTA (0.77) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL16499911 0.81 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL94663 0.81 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL30498791 0.80 FNTA (0.99) FNTAFNTBHRASKRASPGGT1B
SCHEMBL22050803 0.79 FNTA (0.86) FNTAFNTBHRASKRASPGGT1B
SCHEMBL20387082 0.79 FNTA (0.74) FNTAFNTBHRASKRASPGGT1B
SCHEMBL21574309 0.79 FNTA (0.52) FNTAFNTBHRASKRASPGGT1B
SCHEMBL21877258 0.70 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B
SCHEMBL18041271 0.70 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B
SCHEMBL18041272 0.70 FNTA (0.61) 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-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 — — EP disclosed
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