SCHEMBL7920895

SCHEMBL7920895

N#Cc1ccc(NC2CC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.43
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.38
CYP11B2 P19099 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 1/20 0.36
GPR6 P46095 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL1966704 0.83 CXCR2 (0.41) IRAK4MEN1TTRALBKMT2A
SCHEMBL8250121 0.79 KDM4E (0.53) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL20355373 0.78 IRAK4 (0.42) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL12391599 0.77 HPGD (0.44) MEN1KMT2ACXCR2CXCR1JAK2
SCHEMBL2778741 0.76 PTGES2 (0.46) IRAK4GPR6
SCHEMBL432239 0.76 IRAK4 (0.44) IRAK4EGLN2
SCHEMBL29525774 0.76 IRAK4 (0.44) IRAK4EGLN2
SCHEMBL13135634 0.74 CXCR2 (0.42) MEN1TTRALBKMT2ACXCR2
SCHEMBL1117928 0.74 KDM4E (0.42) MEN1TTRALBKMT2ACXCR2
SCHEMBL29673232 0.73 KDM4E (0.51) IRAK4MEN1KMT2APIM1

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
US-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed