SCHEMBL4034865

SCHEMBL4034865

O=C1Cc2cc(NC(=O)c3ccccc3NCc3ccc(OC(=O)O)nc3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.53
JAK3 P52333 1/20 0.53
PTK2 Q05397 1/20 0.42
PTK2B Q14289 1/20 0.42
KIT P10721 8/20 0.41
BRAF P15056 8/20 0.41
CRBN Q96SW2 1/20 0.41
TLK2 Q86UE8 1/20 0.41
BCL6 P41182 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TYK2 P29597 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 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
SCHEMBL4034704 0.93 JAK3 (0.46) IRAK4JAK3KITBRAFRXFP1
SCHEMBL4041203 0.92 JAK3 (0.55) IRAK4JAK3PTK2PTK2BKIT
SCHEMBL4040691 0.88 JAK3 (0.51) IRAK4JAK3KITBRAF
SCHEMBL4034859 0.87 IRAK4 (0.56) IRAK4JAK3PTK2PTK2BKIT
SCHEMBL4036359 0.86 JAK3 (0.54) IRAK4JAK3PTK2PTK2BKIT
SCHEMBL4042030 0.86 JAK3 (0.47) IRAK4JAK3KITBRAFFLT1
SCHEMBL6542947 0.84 JAK3 (0.59) IRAK4JAK3PTK2PTK2BKIT
SCHEMBL4036464 0.84 JAK3 (0.52) IRAK4JAK3PTK2PTK2BKIT
SCHEMBL4042753 0.81 KIT (0.49) KITBRAF
SCHEMBL6612511 0.81 JAK3 (0.53) IRAK4JAK3KITBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392680-B1 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 BAYER SCHERING PHARMA AG (DE) 2009-07-22 EP disclosed
EP-1392680-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002090352-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed