SCHEMBL7990794

SCHEMBL7990794

CN(C)CCCn1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2c(Cl)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
PRKCA P17252 4/20 0.42
PRKCB P05771 3/20 0.42
PRKCE Q02156 1/20 0.42
GRIN2B Q13224 3/20 0.39
FLT1 P17948 3/20 0.36
FLT4 P35916 3/20 0.36
ACHE P22303 1/20 0.36
GRIN1 Q05586 1/20 0.36
FYN P06241 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TLR8 Q9NR97 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35

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
SCHEMBL7550081 0.92 KDR (0.56) KDRPRKCAPRKCBPRKCEGRIN2B
SCHEMBL7976631 0.91 KDR (0.53) KDRPRKCAPRKCBPRKCEFLT1
SCHEMBL7986680 0.89 KDR (0.49) KDRFLT1FLT4TLR8PRKACA
SCHEMBL7550695 0.87 KDR (0.69) KDRPRKCAPRKCBPRKCEFLT1
SCHEMBL7557466 0.85 KDR (0.73) KDRPRKCAPRKCBPRKCEFLT1
SCHEMBL7976734 0.85 KDR (0.50) KDRPRKCAPRKCBPRKCEFLT1
SCHEMBL7987952 0.85 KDR (0.58) KDRPRKCAPRKCBPRKCEGRIN2B
SCHEMBL7976106 0.85 KDR (0.58) KDRPRKCAPRKCBPRKCEGRIN2B
SCHEMBL7502702 0.85 KDR (0.46) KDRPRKCAPRKCBPRKCEGRIN2B
SCHEMBL7976532 0.84 KDR (0.51) KDRPRKCAPRKCBPRKCEGRIN2B

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