SCHEMBL4687166

SCHEMBL4687166

CCC(Oc1cccc(-n2cnnn2)c1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
TP53 P04637 3/20 0.54
USP2 O75604 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK10 P53779 1/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4199184 0.82 KMT2A (0.53) KMT2ATP53USP2KDM4ETSHR
SCHEMBL4210419 0.78 KMT2A (0.62) KMT2ATP53USP2KDM4EMEN1
SCHEMBL4581826 0.78 KMT2A (0.62) KMT2ATP53USP2TSHRMEN1
SCHEMBL4679461 0.76 POLB (0.72) KMT2ATP53USP2TSHRALDH1A1
SCHEMBL4581188 0.76 TP53 (0.62) KMT2ATP53USP2TSHRMEN1
SCHEMBL15825106 0.76 KMT2A (0.71) KMT2ATP53USP2MEN1MAPT
SCHEMBL4211625 0.76 USP2 (0.62) KMT2ATP53USP2KDM4ETSHR
SCHEMBL4687162 0.75 TP53 (0.57) KMT2ATP53USP2KDM4EMEN1
SCHEMBL4687156 0.74 KMT2A (0.57) KMT2ATP53USP2MEN1RAB9A
SCHEMBL15333872 0.74 PARP1 (0.51) TSHRALDH1A1LMNA

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