SCHEMBL29329435

SCHEMBL29329435

Cn1nc(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.36
PRKCD Q05655 2/20 0.36
SYK P43405 3/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
TNF P01375 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.31
ESR1 P03372 3/20 0.31
EGFR P00533 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
SCHEMBL29330024 0.82 MAOB (0.37) PRKCQPRKCDSYKABL1BCR
SCHEMBL29330428 0.81 ESR1 (0.42) PRKCQSYKABL1BCRKDR
SCHEMBL29330096 0.79 PRKCQ (0.39) PRKCQPRKCDSYKABL1BCR
SCHEMBL29329869 0.79 ESR1 (0.42) ESR1
SCHEMBL29330343 0.79 CHRNA7 (0.41) PRKCQPRKCDSYKABL1BCR
SCHEMBL29330342 0.79 SYK (0.40) PRKCQPRKCDSYKABL1BCR
SCHEMBL29329871 0.78 RET (0.39) PRKCQPRKCDSYKRETESR1
SCHEMBL29328592 0.78 SYK (0.45) PRKCQPRKCDSYKRETESR1
SCHEMBL29330430 0.78 PRKCQ (0.43) PRKCQSYKABL1EGFR
SCHEMBL29329004 0.76 PRKCQ (0.38) PRKCQPRKCDSYKABL1BCR

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