SCHEMBL29329778

SCHEMBL29329778

Cc1ncc(Oc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.38
SYK P43405 2/20 0.36
PRKCD Q05655 1/20 0.35
RET P07949 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ULK1 O75385 1/20 0.34
ESR1 P03372 2/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
CDK8 P49336 2/20 0.33
APP P05067 1/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TTBK1 Q5TCY1 1/20 0.32

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
SCHEMBL29329217 0.86 TTBK1 (0.41) PRKCQSYKRETESR1EGFR
SCHEMBL29330163 0.84 ESR1 (0.42) PRKCQSYKESR1TTBK1TTBK2
SCHEMBL29330425 0.84 ESR1 (0.42) PRKCQSYKPRKCDRETESR1
SCHEMBL29329865 0.84 PRKCQ (0.43) PRKCQSYKPRKCDRETESR1
SCHEMBL29330164 0.84 SYK (0.40) PRKCQSYKSLC22A12ESR1APP
SCHEMBL29329364 0.81 KDR (0.39) PRKCQSYKESR1CDK8CDK1
SCHEMBL29329431 0.81 SYK (0.39) PRKCQSYKPRKCDRETESR1
SCHEMBL29330093 0.81 CHRNA7 (0.41) PRKCQSYKESR1APP
SCHEMBL29330161 0.81 ESR1 (0.48) PRKCQSYKPRKCDESR1EGFR
SCHEMBL29330567 0.81 PRKCQ (0.45) PRKCQSYKPRKCDRETESR1

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