SCHEMBL7252131

SCHEMBL7252131

Cc1[nH]c(/C=C2\CN(C)c3ccc(S(=O)(=O)Cc4ccccc4)cc32)c(C)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.49
KDR P35968 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CDK2 P24941 2/20 0.46
PTK2B Q14289 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FGFR1 P11362 2/20 0.46
CCNE1 P24864 1/20 0.46
RECQL P46063 1/20 0.46
FLT3 P36888 2/20 0.38
AURKB Q96GD4 2/20 0.38
PLK4 O00444 1/20 0.38
RIOK3 O14730 1/20 0.38
CASK O14936 1/20 0.38
GAK O14976 1/20 0.38
DCLK1 O15075 1/20 0.38
EPHB6 O15197 1/20 0.38
MAP3K13 O43283 1/20 0.38
MAP3K7 O43318 1/20 0.38

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
SCHEMBL146175 0.85 MET (0.54) METKDRMEN1KMT2ACDK2
SCHEMBL7250921 0.78 KDR (0.47) METKDRMEN1KMT2ACDK2
SCHEMBL7251362 0.78 KDR (0.48) METKDRMEN1KMT2ACDK2
SCHEMBL7251716 0.77 MET (0.49) METKDRMEN1KMT2ACDK2
SCHEMBL7125587 0.77 KDR (0.65) METKDRMEN1KMT2ACDK2
SCHEMBL144583 0.75 MET (0.63) METKDRMEN1KMT2ACDK2
SCHEMBL142117 0.75 MET (0.63) METKDRMEN1KMT2ACDK2
SCHEMBL7252892 0.75 MET (0.49) METKDRMEN1KMT2ACDK2
SCHEMBL141818 0.75 KDR (0.67) METKDRMEN1KMT2ACDK2
SCHEMBL145802 0.75 KDR (0.62) METKDRMEN1KMT2ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US claimed