SCHEMBL29329783

SCHEMBL29329783

N#Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
ERBB2 P04626 6/20 0.42
ERBB3 P21860 6/20 0.42
ERBB4 Q15303 6/20 0.42
ESR1 P03372 2/20 0.39
SCN8A Q9UQD0 3/20 0.37
SCN10A Q9Y5Y9 3/20 0.37
PRKCQ Q04759 1/20 0.37
KDR P35968 2/20 0.36
FFAR1 O14842 2/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
PPOX P50336 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MET P08581 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
SCHEMBL29329283 0.90 MET (0.42) ESR1SCN8ASCN10APRKCQKDR
SCHEMBL29329717 0.88 ESR1 (0.39) ESR1SCN8ASCN10APRKCQKDR
SCHEMBL29330253 0.88 EGFR (0.41) EGFRERBB2ERBB3ERBB4ESR1
SCHEMBL29328749 0.88 EGFR (0.42) EGFRERBB2ERBB3ERBB4ESR1
SCHEMBL29330248 0.88 ESR1 (0.46) ESR1SCN8ASCN10APRKCQKDR
SCHEMBL29329720 0.84 TTBK1 (0.46) EGFRERBB2ERBB3ERBB4ESR1
SCHEMBL29329364 0.84 KDR (0.39) ESR1PRKCQKDR
SCHEMBL29330029 0.83 PRKCQ (0.40) EGFRERBB2ERBB3ERBB4ESR1
SCHEMBL29330094 0.82 PRKCQ (0.40) ESR1PRKCQ
SCHEMBL29330097 0.81 RHEB (0.39) EGFRERBB2ERBB3ERBB4ESR1

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