SCHEMBL29328590

SCHEMBL29328590

N#Cc1cc(OC2CC(c3ccccc3Cl)C2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.37
SYK P43405 2/20 0.33
ESR1 P03372 3/20 0.32
PRKCD Q05655 3/20 0.32
RET P07949 1/20 0.32
EGFR P00533 3/20 0.32
ERBB2 P04626 2/20 0.31
ERBB3 P21860 2/20 0.31
ERBB4 Q15303 2/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL29329208 0.80 PRKCQ (0.39) PRKCQSYKESR1PRKCDRET
SCHEMBL29329002 0.80 SYK (0.38) PRKCQSYKESR1RETEGFR
SCHEMBL29330167 0.78 PRKCQ (0.39) PRKCQSYKESR1PRKCDRET
SCHEMBL29330097 0.78 RHEB (0.39) PRKCQSYKESR1RETEGFR
SCHEMBL29330567 0.78 PRKCQ (0.45) PRKCQSYKESR1PRKCDRET
SCHEMBL29329217 0.77 TTBK1 (0.41) PRKCQSYKESR1RETEGFR
SCHEMBL29330163 0.77 ESR1 (0.42) PRKCQSYKESR1
SCHEMBL29328749 0.75 EGFR (0.42) PRKCQESR1EGFRERBB2ERBB3
SCHEMBL29330430 0.74 PRKCQ (0.43) PRKCQSYKEGFRAPP
SCHEMBL27164662 0.72 POLA1 (0.40) PRKCQSYKESR1RETEGFR

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