SCHEMBL21783734

SCHEMBL21783734

O=C(OCc1ccccc1)N1CCCC1c1nc(Br)c2c(Cl)nccn12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
BTK Q06187 4/20 0.42
AADAT Q8N5Z0 1/20 0.42
PREP P48147 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL14651433 1.00 TEC (0.47) TECTXKBTKAADATPREP
SCHEMBL20411768 0.97 TEC (0.45) TECTXKBTKAADATPREP
SCHEMBL29593305 0.95 PTGDR2 (0.41) TECTXKPTGDR2TMEM97SIGMAR1
SCHEMBL28348501 0.90 PREP (0.41) TECTXKPREPPTGDR2
SCHEMBL28348505 0.90 PREP (0.41) TECTXKPREPPTGDR2
SCHEMBL14654694 0.89 TEC (0.49) TECTXKBTKAADATPREP
SCHEMBL14654706 0.89 TEC (0.49) TECTXKBTKAADATPREP
SCHEMBL14637258 0.89 TEC (0.56) TECTXKBTK
SCHEMBL14651434 0.89 TEC (0.56) TECTXKBTK
SCHEMBL24357700 0.87 TEC (0.37) TECTXKBTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658990-B Novel imidazo [1,5-a ] pyrazine Bruton kinase inhibitors 南京科技职业学院 2021-03-23 CN disclosed
WO-2020043787-A1 PROCESSES FOR THE PREPARATION OF 4-{8-AMINO-3-[(2S)-1-(BUT-2-YNOYL)-PYRROLIDIN-2-YL]IMIDAZO[1,5-A]-PYRAZIN-1-YL}N-(PYRIDIN-2-YL)-BENZAMIDE ACERTA PHARMA B.V. (NL) 2020-03-05 WO disclosed