SCHEMBL8978637

SCHEMBL8978637

Clc1nc(Cl)nc(Nc2cccc(Br)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.65
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
KDR P35968 2/20 0.51
POLB P06746 1/20 0.50
EGFR P00533 2/20 0.49
LMNA P02545 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
APP P05067 2/20 0.48
CDK1 P06493 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL30490523 0.89 NFKB1 (0.53) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL7564951 0.87 KDR (0.58) KDREGFRABCG2
SCHEMBL20820089 0.87 NFKB1 (0.76) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL8526184 0.81 NFKB1 (0.69) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL28176787 0.79 NFKB1 (0.52) NFKB1MAPTPOLBAPPNPC1
SCHEMBL23321165 0.79 NFKB1 (1.00) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL2874930 0.79 NFKB1 (0.65) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL8973538 0.79 NFKB1 (0.65) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL2779096 0.79 BRAF (0.52) MAPTKDRPOLBEGFRLMNA
SCHEMBL18385064 0.79 NFKB1 (0.65) NFKB1KMT2AMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621787-A Substituted triazine compound, method for preparing cyclic peptide and staple peptide by using same and application of substituted triazine compound 粤港澳大湾区精准医学研究院(广州) 2023-08-22 CN disclosed
US-5561131-A INCREASING THE WOOL GROWTH BY ADMINISTERING AN ANTIPROTOZOA AGENT TO SHEEP MALLINCKRODT VETERINARY, INC. (US) 1996-10-01 US disclosed
EP-0661976-A1 DEFAUNATION METHOD MALLINCKRODT VETERINARY LIMITED (AU) 1995-07-12 EP disclosed
EP-0661976-A4 DEFAUNATION METHOD. MALLINCKRODT VETERINARY LTD (AU) 1994-07-20 EP disclosed
WO-1993002680-A1 DEFAUNATION METHOD PITMAN-MOORE AUSTRALIA LIMITED (AU) 1993-02-18 WO disclosed