SCHEMBL29329215

SCHEMBL29329215

COc1ncc(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.40
PRKCQ Q04759 8/20 0.39
RET P07949 1/20 0.36
PRKCD Q05655 3/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
PLK2 Q9NYY3 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
NOTUM Q6P988 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 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
SCHEMBL29330430 0.82 PRKCQ (0.43) SYKPRKCQMEN1KMT2ASIRT2
SCHEMBL29329292 0.82 SIRT2 (0.41) SYKPRKCQPRKCDMAPK1SIRT2
SCHEMBL29330342 0.82 SYK (0.40) SYKPRKCQRETPRKCDESR1
SCHEMBL29330343 0.80 CHRNA7 (0.41) SYKPRKCQPRKCDESR1SIRT2
SCHEMBL29328745 0.80 PRKCQ (0.37) SYKPRKCQRETPRKCDESR1
SCHEMBL29329866 0.80 PRKCQ (0.38) SYKPRKCQRETPRKCDMAPT
SCHEMBL29330433 0.79 SYK (0.41) SYKPRKCQRETPRKCDESR1
SCHEMBL29328592 0.79 SYK (0.45) SYKPRKCQRETPRKCDESR1
SCHEMBL29329871 0.79 RET (0.39) SYKPRKCQRETPRKCDESR1
SCHEMBL29329528 0.79 SYK (0.36) SYKPRKCQRETPRKCDESR1

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