SCHEMBL4640871

SCHEMBL4640871

NC(=O)NCc1ccc(-c2cncnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.53
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 6/20 0.41
KDM1A O60341 4/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41

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
SCHEMBL15677943 0.83 KMT2A (0.53) ALDH1A1HDAC1HDAC6MMP13HDAC3
SCHEMBL27823146 0.83 RECQL (0.69) CYP2C9CYP2C19RECQLLMNAMMP13
SCHEMBL27824293 0.82 RECQL (0.62) CYP2C9CYP2C19RECQLDYRK1ACLK4
SCHEMBL1124145 0.80 TGM2 (0.58) LMNAALDH1A1HDAC1KDM1AHDAC6
SCHEMBL25546132 0.79 TPSAB1 (0.63) CYP2C9CYP2C19RECQLLMNAALDH1A1
SCHEMBL8245493 0.79 LMNA (0.64) CYP2C9CYP2C19RECQLLMNAALDH1A1
SCHEMBL17080177 0.78 FFAR1 (0.44) LMNAALDH1A1HDAC1MAP4K4DYRK1A
SCHEMBL4642962 0.77 CHRM4 (0.53) CYP2C9CYP2C19RECQLALDH1A1HDAC1
SCHEMBL31258400 0.76 ROCK2 (0.60) CYP2C9CYP2C19ROCK2ROCK1
SCHEMBL23451014 0.75 CYP2C9 (0.56) CYP2C9CYP2C19RECQLLMNAALDH1A1

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 3 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 disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO disclosed