SCHEMBL7986898

SCHEMBL7986898

CC(CN(C)C)n1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2c(Cl)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
GRIN2B Q13224 5/20 0.37
TAAR1 Q96RJ0 1/20 0.34
GRIN1 Q05586 3/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CNR2 P34972 1/20 0.32
IDO1 P14902 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
SCHEMBL7548486 0.92 KDR (0.41) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7986476 0.91 KDR (0.39) KDRFLT1FLT4
SCHEMBL7990817 0.89 KDR (0.36) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7549609 0.87 KDR (0.49) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7553622 0.85 KDR (0.55) KDRFLT1FLT4
SCHEMBL7986664 0.85 MAOB (0.40) KDRFLT1FLT4
SCHEMBL7994139 0.85 KDR (0.41) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7988607 0.85 KDR (0.43) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7504511 0.84 KDR (0.54) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7990227 0.80 PDE4B (0.45) KDRFLT1FLT4GRIN2B

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