SCHEMBL7987947

SCHEMBL7987947

N#Cc1ccc2c(c1)c(-c1cncc(-c3cccc(Cl)c3)c1)cn2CCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.52
FLT1 P17948 3/20 0.47
FLT4 P35916 3/20 0.47
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SCN7A Q01118 1/20 0.38
HTR6 P50406 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 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
SCHEMBL7552695 0.95 KDR (0.54) KDRFLT1FLT4HRH3
SCHEMBL7991259 0.92 KDR (0.53) KDRFLT1FLT4FNTAFNTB
SCHEMBL7976563 0.90 KDR (0.52) KDRFLT1FLT4HRH3SCN7A
SCHEMBL7555484 0.90 KDR (0.59) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7551512 0.90 KDR (0.58) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7551942 0.87 KDR (0.55) KDRFLT1FLT4HRH3
SCHEMBL7504415 0.87 KDR (0.50) KDRFLT1FLT4FNTAFNTB
SCHEMBL7553508 0.86 KDR (0.69) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7548699 0.85 KDR (0.54) KDRFLT1FLT4HRH3SCN7A
SCHEMBL7547180 0.84 KDR (0.60) KDRFLT1FLT4HRH3

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