SCHEMBL7994231

SCHEMBL7994231

CC(CN(C)C)Cn1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.70
FLT1 P17948 4/20 0.70
FLT4 P35916 4/20 0.70
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
ASH1L Q9NR48 3/20 0.42
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.37
GRIN2B Q13224 3/20 0.37
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCE Q02156 1/20 0.36
GRIN1 Q05586 1/20 0.35
EGFR P00533 1/20 0.34
MET P08581 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL7508525 0.92 KDR (0.59) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7513664 0.92 KDR (0.59) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7976518 0.90 KDR (0.72) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7550357 0.90 KDR (0.78) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7504511 0.87 KDR (0.54) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7504838 0.87 KDR (0.54) KDRFLT1FLT4KCNH2GRIN2B
SCHEMBL7987886 0.87 KDR (0.63) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7990966 0.87 KDR (0.63) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7547790 0.87 KDR (0.68) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7555413 0.86 KDR (0.52) KDRFLT1FLT4PRKACAPRKACG

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