SCHEMBL29329217

SCHEMBL29329217

N#Cc1cc(Oc2ccc(Cl)c(Cl)c2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
PRKCQ Q04759 4/20 0.37
ESR1 P03372 3/20 0.36
HSP90AA1 P07900 1/20 0.36
SYK P43405 2/20 0.35
POLA1 P09884 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
EGFR P00533 2/20 0.34
ERBB2 P04626 1/20 0.34
ERBB3 P21860 1/20 0.34
ERBB4 Q15303 1/20 0.34
IDO1 P14902 1/20 0.34
RET P07949 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL29330164 0.91 SYK (0.40) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29330163 0.89 ESR1 (0.42) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29329364 0.88 KDR (0.39) PRKCQESR1SYK
SCHEMBL29329778 0.86 PRKCQ (0.38) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29330567 0.86 PRKCQ (0.45) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29330161 0.86 ESR1 (0.48) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29330255 0.85 ESR1 (0.42) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29330425 0.85 ESR1 (0.42) TTBK1TTBK2PRKCQESR1SYK
SCHEMBL29330251 0.85 SYK (0.41) PRKCQESR1SYKEGFRRET
SCHEMBL30629375 0.85 POLA1 (0.40) PRKCQESR1SYKPOLA1EGFR

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