SCHEMBL7990673

SCHEMBL7990673

COc1cccc2c(-c3cncc(-c4ccsc4)c3)cn(CCN3CCCCC3)c12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.69
FLT1 P17948 5/20 0.62
FLT4 P35916 5/20 0.62
FLT3 P36888 1/20 0.41
CNR2 P34972 2/20 0.41
HTR1A P08908 3/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
CYP2A6 P11509 1/20 0.38
HTR7 P34969 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL7993934 0.95 KDR (0.70) KDRFLT1FLT4CNR2HTR1A
SCHEMBL7987725 0.92 KDR (0.70) KDRFLT1FLT4CNR2
SCHEMBL7554218 0.89 KDR (0.71) KDRFLT1FLT4CNR2HTR1A
SCHEMBL7551199 0.88 KDR (0.54) KDRFLT1FLT4FLT3CNR2
SCHEMBL7547303 0.88 KDR (0.53) KDRFLT1FLT4CNR2HTR1A
SCHEMBL7549676 0.86 KDR (0.50) KDRFLT1FLT4FLT3CNR2
SCHEMBL7554271 0.85 KDR (0.49) KDRFLT1FLT4FLT3CNR2
SCHEMBL7988115 0.85 KDR (0.49) KDRFLT1FLT4FLT3CNR2
SCHEMBL7550092 0.85 KDR (0.49) KDRFLT1FLT4FLT3CNR2
SCHEMBL7990971 0.83 KDR (0.70) KDRFLT1FLT4FLT3CNR2

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