SCHEMBL14214631

SCHEMBL14214631

COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.84
PTK2 Q05397 3/20 0.84
LCK P06239 3/20 0.84
PDGFRB P09619 3/20 0.84
TNK2 Q07912 2/20 0.84
FLT1 P17948 2/20 0.84
PDGFRA P16234 2/20 0.84
AURKA O14965 1/20 0.84
DAPK3 O43293 1/20 0.84
JAK2 O60674 1/20 0.84
PRKD3 O94806 1/20 0.84
MAP4K4 O95819 1/20 0.84
PAK4 O96013 1/20 0.84
ABL1 P00519 1/20 0.84
NTRK1 P04629 1/20 0.84
FYN P06241 1/20 0.84
CSF1R P07333 1/20 0.84
RET P07949 1/20 0.84
MET P08581 1/20 0.84
PIM1 P11309 1/20 0.84

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
SCHEMBL14214547 0.80 PTK2 (0.79) KDRPTK2LCKPDGFRBTNK2
SCHEMBL5758488 0.76 ALK (0.73) KDRPTK2LCKPDGFRBTNK2
SCHEMBL5757748 0.74 ALK (0.60) KDRPTK2LCKPDGFRBTNK2
SCHEMBL6478895 0.73 PDGFRB (0.57) KDRPTK2LCKPDGFRBTNK2
SCHEMBL14214686 0.72 PTK2 (0.56) KDRPTK2LCKPDGFRBTNK2
SCHEMBL5758463 0.70 KDR (0.55) KDRPTK2LCKPDGFRBTNK2
SCHEMBL4251626 0.70 ALK (0.59) KDRPTK2LCKPDGFRBTNK2
SCHEMBL14214691 0.68 KDR (0.63) KDRPTK2LCKPDGFRBTNK2
SCHEMBL5759796 0.68 ROCK1 (0.52) KDRPTK2LCKPDGFRBTNK2
SCHEMBL4761475 0.68 EGFR (0.65) KDRPTK2LCKPDGFRBTNK2

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
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed