SCHEMBL7987137

SCHEMBL7987137

CC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2c(Cl)cccc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.74
FLT1 P17948 4/20 0.74
FLT4 P35916 4/20 0.74
CYP2A6 P11509 4/20 0.38
TDP2 O95551 1/20 0.34
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CHEK2 O96017 1/20 0.31
HTR1D P28221 1/20 0.31
KCNH2 Q12809 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL7986816 0.88 KDR (0.58) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7554934 0.87 KDR (0.55) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7504511 0.86 KDR (0.54) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7553622 0.85 KDR (0.55) KDRFLT1FLT4CYP2A6TDP2
SCHEMBL7547755 0.85 KDR (1.00) KDRFLT1FLT4CYP2A6PRKACA
SCHEMBL7551047 0.84 KDR (0.51) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7557466 0.83 KDR (0.73) KDRFLT1FLT4CYP2A6TDP2
SCHEMBL7552915 0.83 KDR (0.51) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7988018 0.83 KDR (0.78) KDRFLT1FLT4CYP2A6TDP2
SCHEMBL7976429 0.83 KDR (0.78) KDRFLT1FLT4CYP2A6TDP2

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