SCHEMBL29329638

SCHEMBL29329638

N#Cc1cc(Oc2ccc(F)cc2F)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.47
SYK P43405 1/20 0.40
PRKCQ Q04759 3/20 0.39
AHR P35869 1/20 0.39
TRPA1 O75762 3/20 0.38
AR P10275 1/20 0.38
ROCK2 O75116 6/20 0.37
ESR1 P03372 3/20 0.36
ROCK1 Q13464 1/20 0.35

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
SCHEMBL29330253 0.90 EGFR (0.41) METSYKPRKCQAHRESR1
SCHEMBL29329719 0.90 MET (0.41) METSYKPRKCQROCK2ESR1
SCHEMBL29329440 0.89 MET (0.40) METSYKPRKCQAHRROCK2
SCHEMBL29330255 0.89 ESR1 (0.42) METSYKPRKCQAHRESR1
SCHEMBL29329283 0.89 MET (0.42) METSYKPRKCQROCK2ESR1
SCHEMBL29330031 0.89 MET (0.42) METSYKPRKCQAHRESR1
SCHEMBL29329639 0.87 MET (0.43) METSYKPRKCQAHRTRPA1
SCHEMBL29330251 0.87 SYK (0.41) METSYKPRKCQAHRESR1
SCHEMBL29330032 0.86 SYK (0.42) METSYKPRKCQAHRESR1
SCHEMBL29330254 0.85 SYK (0.42) METSYKPRKCQTRPA1ESR1

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed