SCHEMBL7990474

SCHEMBL7990474

COc1cccc2c(-c3cncc(-c4ccsc4)c3)cn(CC(C)CN(C)C)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.71
FLT1 P17948 4/20 0.71
FLT4 P35916 4/20 0.71
CYP2A6 P11509 3/20 0.37
CNR2 P34972 2/20 0.36
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
ALPL P05186 1/20 0.33
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL7990694 0.88 KDR (0.56) KDRFLT1FLT4CNR2
SCHEMBL7990501 0.87 KDR (0.58) KDRFLT1FLT4CYP2A6CNR2
SCHEMBL7545417 0.86 KDR (0.52) KDRFLT1FLT4CNR2ALPL
SCHEMBL7547229 0.86 KDR (0.51) KDRFLT1FLT4CNR2PDGFRB
SCHEMBL7504851 0.86 KDR (0.51) KDRFLT1FLT4CNR2ALPL
SCHEMBL7546769 0.85 KDR (0.51) KDRFLT1FLT4CNR2ALPL
SCHEMBL7990971 0.84 KDR (0.70) KDRFLT1FLT4CYP2A6CNR2
SCHEMBL7547755 0.83 KDR (1.00) KDRFLT1FLT4CYP2A6
SCHEMBL7550053 0.81 KDR (0.75) KDRFLT1FLT4CYP2A6PDGFRB
SCHEMBL7990673 0.78 KDR (0.69) KDRFLT1FLT4CYP2A6CNR2

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-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed