SCHEMBL29329002

SCHEMBL29329002

N#Cc1cc(OC2CCCCC2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.38
PRKCQ Q04759 3/20 0.38
ABL1 P00519 2/20 0.38
ESR1 P03372 2/20 0.37
RET P07949 1/20 0.36
EGFR P00533 1/20 0.36
RXFP2 Q8WXD0 1/20 0.35
CTSK P43235 1/20 0.34
CDK1 P06493 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
ROCK1 Q13464 2/20 0.34
GALR2 O43603 1/20 0.34
GALR1 P47211 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
SCHEMBL29331087 0.94 PRKCQ (0.36) SYKPRKCQABL1ESR1RET
SCHEMBL29329117 0.87 CDK2 (0.39) SYKPRKCQESR1CDK1
SCHEMBL29328997 0.85 PRKCQ (0.37) SYKPRKCQESR1RETRXFP2
SCHEMBL29329935 0.85 SCN5A (0.39) SYKPRKCQABL1ESR1RET
SCHEMBL29330247 0.85 NFE2L2 (0.38) SYKPRKCQESR1RETEGFR
SCHEMBL29329119 0.84 PRKCQ (0.38) SYKPRKCQRETEGFRGALR1
SCHEMBL29329004 0.81 PRKCQ (0.38) SYKPRKCQABL1ESR1RET
SCHEMBL29330567 0.81 PRKCQ (0.45) SYKPRKCQESR1RETMEN1
SCHEMBL29330161 0.81 ESR1 (0.48) SYKPRKCQESR1EGFRMEN1
SCHEMBL22803670 0.79 ESR1 (0.44) SYKPRKCQESR1RETEGFR

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