SCHEMBL5708704

SCHEMBL5708704

CC(C)(C)N(/N=C(/c1ccncc1)c1cc(F)c(Br)cc1F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.32
MAPK7 Q13164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR27 Q9NS67 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL2946859 0.75 MTOR (0.40) KMT2APOLBSMN1; SMN2GPR27MTOR
SCHEMBL2946856 0.75 MTOR (0.40) KMT2APOLBSMN1; SMN2GPR27MTOR
SCHEMBL2943447 0.75 KMT2A (0.36) KMT2APOLBMAPK7SMN1; SMN2
SCHEMBL2943450 0.75 KMT2A (0.36) KMT2APOLBMAPK7SMN1; SMN2
SCHEMBL5707012 0.74 DGAT1 (0.40) KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL13234361 0.73 RAB9A (0.45) KMT2APOLBALDH1A1SMN1; SMN2MTOR
SCHEMBL2944264 0.72 LTA4H (0.49) KMT2AMAPK7ALDH1A1GPR27
SCHEMBL9796364 0.70 GAA (0.49) KMT2AALDH1A1
SCHEMBL9796361 0.70 GAA (0.49) KMT2AALDH1A1
SCHEMBL9768810 0.67 NAPRT (0.38) KMT2AALDH1A1

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-1709028-A1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073217-A1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed