SCHEMBL29329283

SCHEMBL29329283

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
ESR1 P03372 3/20 0.39
ROCK2 O75116 2/20 0.39
KDR P35968 6/20 0.38
BRAF P15056 5/20 0.38
CHRNA7 P36544 1/20 0.37
SYK P43405 1/20 0.37
SCN8A Q9UQD0 4/20 0.37
SCN10A Q9Y5Y9 4/20 0.37
PRKCQ Q04759 1/20 0.37

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
SCHEMBL29329717 0.93 ESR1 (0.39) METESR1ROCK2KDRBRAF
SCHEMBL29329783 0.90 EGFR (0.42) METESR1KDRSCN8ASCN10A
SCHEMBL29329638 0.89 MET (0.47) METESR1ROCK2SYKPRKCQ
SCHEMBL29330248 0.89 ESR1 (0.46) ESR1KDRBRAFCHRNA7SYK
SCHEMBL29329719 0.87 MET (0.41) METESR1ROCK2SYKPRKCQ
SCHEMBL29329720 0.85 TTBK1 (0.46) ESR1KDRBRAFPRKCQ
SCHEMBL29328660 0.83 SYK (0.39) METESR1KDRBRAFCHRNA7
SCHEMBL29329538 0.83 SYK (0.39) METESR1KDRBRAFSYK
SCHEMBL29330029 0.83 PRKCQ (0.40) METESR1KDRSYKPRKCQ
SCHEMBL29330032 0.83 SYK (0.42) METESR1SYKPRKCQ

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