SCHEMBL6533916

SCHEMBL6533916

CC(C)(C)c1ccc(-c2cccc(-c3ccc(Nc4ccc5ncsc5c4)nn3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.41
INSR P06213 2/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
TEK Q02763 2/20 0.41
CSF1R P07333 1/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
RIPK2 O43353 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
IKBKB O14920 3/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TOP2A P11388 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL13675607 0.80 PLK1 (0.46) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1012972 0.78 KDR (0.45) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1013770 0.77 TRPV1 (0.60) KDRINSRPDGFRBPDGFRATEK
SCHEMBL12954688 0.74 TRPV1 (0.44) KDRINSRPDGFRBPDGFRATEK
SCHEMBL13675608 0.69 MEN1 (0.51) KDRNTRK1NTRK2RIPK2IRAK4
SCHEMBL1016745 0.68 MEN1 (0.45) KDRINSRPDGFRBPDGFRATEK
SCHEMBL18589865 0.67 FFAR1 (0.45) KDRNTRK1NTRK2RIPK2RIPK3
SCHEMBL1013633 0.67 MEN1 (0.48) KDRINSRPDGFRBPDGFRATEK
SCHEMBL761993 0.67 MEN1 (0.52) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1013512 0.66 ABL1 (0.61) NTRK1NTRK2IKBKBMEN1NPC1

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
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed