SCHEMBL6049862

SCHEMBL6049862

CC(C)(C)c1cc(N(C(N)=O)c2ccc(Sc3ccncc3)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.43
FLT3 P36888 3/20 0.37
RIPK2 O43353 1/20 0.36
MAPK14 Q16539 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAPK13 O15264 1/20 0.33
RET P07949 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DDAH1 O94760 1/20 0.32
NOS1 P29475 1/20 0.32
EGFR P00533 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3630103 0.87 RAF1 (0.36) RAF1FLT3RIPK2SMN1; SMN2MEN1
SCHEMBL1065560 0.77 KMT2A (0.38) RAF1FLT3MAPK14SMN1; SMN2MAPK13
SCHEMBL7817773 0.76 RAF1 (0.40) RAF1FLT3RIPK2MAPK14SMN1; SMN2
SCHEMBL27607443 0.76 RAF1 (0.42) RAF1FLT3RIPK2MAPK14MAPK13
SCHEMBL5342704 0.75 LMNA (0.48) MAPK14SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6049560 0.74 RAF1 (0.54) RAF1RIPK2MAPK14MAPK13
SCHEMBL6049496 0.73 MAPK14 (0.43) MAPK14MAPK13DDAH1NOS1
SCHEMBL5597141 0.70 CYP1A2 (0.36) MAPK14SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1698873 0.70 RAB9A (0.48) RAF1FLT3MAPK14SMN1; SMN2MAPK13
SCHEMBL668678 0.70 FLT3 (0.73) RAF1FLT3RIPK2MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP claimed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP claimed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed