SCHEMBL7976277

SCHEMBL7976277

CC(CN(C)C)n1cc(-c2cncc(-c3ccc(Cl)cc3)c2)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
MAP4K4 O95819 1/20 0.34
NR3C1 P04150 3/20 0.34
PGR P06401 3/20 0.34
NR3C2 P08235 3/20 0.34
AR P10275 2/20 0.34
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ALPL P05186 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL7557902 0.94 KDR (0.46) KDRFLT1FLT4DYRK1ANFATC1
SCHEMBL7990418 0.92 KDR (0.39) KDRFLT1FLT4MAP4K4ALPL
SCHEMBL7988607 0.91 KDR (0.43) KDRFLT1FLT4DYRK1ANFATC1
SCHEMBL7552885 0.90 KDR (0.51) KDRFLT1FLT4DYRK1ANFATC1
SCHEMBL7547648 0.88 KDR (0.58) KDRFLT1FLT4DYRK1ANFATC1
SCHEMBL7548512 0.85 KDR (0.43) KDRFLT1FLT4SLC2A1
SCHEMBL7987876 0.84 PDE4B (0.45) KDRFLT1FLT4ALPLCYP11B1
SCHEMBL7548685 0.83 KDR (0.60) KDRFLT1FLT4DYRK1AMAP4K4
SCHEMBL7986476 0.82 KDR (0.39) KDRFLT1FLT4MAP4K4CHRNB1
SCHEMBL7994139 0.82 KDR (0.41) KDRFLT1FLT4

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