SCHEMBL6451002

SCHEMBL6451002

CNC(=O)c1cc(Oc2ccc3c(c2)nc(NC2CCCC[C@@H]2C2CCCCC2)n3C)ccn1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.81
BRAF P15056 14/20 0.81
PDGFRB P09619 2/20 0.55
KIT P10721 2/20 0.55
KDR P35968 2/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
CSF1R P07333 4/20 0.51
PDGFRA P16234 1/20 0.51
FLT3 P36888 1/20 0.51

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
SCHEMBL1217128 1.00 RAF1 (0.81) RAF1BRAFPDGFRBKITKDR
SCHEMBL2891172 0.89 RAF1 (1.00) RAF1BRAFPDGFRBKITKDR
SCHEMBL2891760 0.89 RAF1 (1.00) RAF1BRAFPDGFRBKITKDR
SCHEMBL2894171 0.89 RAF1 (0.79) RAF1BRAFPDGFRBKITKDR
SCHEMBL2895366 0.89 RAF1 (0.98) RAF1BRAFPDGFRBKITKDR
SCHEMBL15049732 0.87 BRAF (0.61) RAF1BRAFPDGFRBKITKDR
SCHEMBL2894441 0.86 RAF1 (0.91) RAF1BRAFPDGFRBKITKDR
SCHEMBL3015948 0.84 RAF1 (0.71) RAF1BRAFPDGFRBKITKDR
SCHEMBL13618038 0.83 RAF1 (0.79) RAF1BRAFPDGFRBKITKDR
SCHEMBL2891794 0.83 RAF1 (0.84) RAF1BRAFPDGFRBKITKDR

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-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 EP disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed