SCHEMBL29329865

SCHEMBL29329865

Cc1cncc(Oc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.43
PRKCD Q05655 4/20 0.38
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
SYK P43405 2/20 0.36
SCN9A Q15858 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
ESR1 P03372 3/20 0.35
CYP19A1 P11511 1/20 0.34
RET P07949 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL29330425 0.89 ESR1 (0.42) PRKCQPRKCDSYKSCN9AKCNH2
SCHEMBL29330094 0.86 PRKCQ (0.40) PRKCQPRKCDSYKSCN9AKCNH2
SCHEMBL29329778 0.84 PRKCQ (0.38) PRKCQPRKCDSYKESR1RET
SCHEMBL29330567 0.83 PRKCQ (0.45) PRKCQPRKCDSYKSCN9ASCN5A
SCHEMBL29330161 0.83 ESR1 (0.48) PRKCQPRKCDSYKSCN9AKCNH2
SCHEMBL29330255 0.83 ESR1 (0.42) PRKCQSYKSCN9AKCNH2SCN5A
SCHEMBL29330163 0.83 ESR1 (0.42) PRKCQSYKSCN9AKCNH2SCN5A
SCHEMBL29330251 0.83 SYK (0.41) PRKCQPRKCDSYKESR1RET
SCHEMBL29330256 0.82 PRKCQ (0.41) PRKCQPRKCDPRKCHPRKCESYK
SCHEMBL29330341 0.82 PRKCQ (0.39) PRKCQPRKCDSYKESR1RET

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