SCHEMBL4687162

SCHEMBL4687162

CNC(=O)C(C)Oc1cccc(-n2cnnn2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
KMT2A Q03164 7/20 0.55
EPHX2 P34913 1/20 0.54
USP2 O75604 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4581188 0.86 TP53 (0.62) TP53KMT2AEPHX2USP2MEN1
SCHEMBL4581826 0.86 KMT2A (0.62) TP53KMT2AEPHX2USP2MEN1
SCHEMBL4210419 0.81 KMT2A (0.62) TP53KMT2AEPHX2USP2KDM4E
SCHEMBL1791512 0.79 NOTUM (0.53) TP53KMT2AEPHX2USP2KDM4E
SCHEMBL4199184 0.76 KMT2A (0.53) TP53KMT2AUSP2KDM4EMEN1
SCHEMBL15825106 0.76 KMT2A (0.71) TP53KMT2AEPHX2USP2MEN1
SCHEMBL12049707 0.75 RAB9A (0.65) TP53KMT2AEPHX2KDM4EMEN1
SCHEMBL15104220 0.75 RAB9A (0.61) TP53KMT2AEPHX2KDM4EMEN1
SCHEMBL4687166 0.75 KMT2A (0.55) TP53KMT2AUSP2KDM4EMEN1
SCHEMBL15104221 0.73 RAB9A (0.56) TP53KMT2AEPHX2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP claimed
JP-2007504160-A 2007-03-01 JP claimed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP claimed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO claimed