SCHEMBL7976092

SCHEMBL7976092

COc1ccc(-c2cncc(-c3cn(CC(C)CN(C)C)c4ccccc34)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

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
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
GSK3B P49841 1/20 0.39
QPCT Q16769 1/20 0.39
KCNH2 Q12809 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL7505010 0.91 KDR (0.58) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7547790 0.90 KDR (0.68) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7550357 0.90 KDR (0.78) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7977281 0.89 KDR (0.61) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7976518 0.88 KDR (0.72) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7553739 0.88 KDR (0.54) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7549028 0.86 KDR (0.52) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7545417 0.86 KDR (0.52) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7516192 0.86 KDR (0.54) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7551047 0.85 KDR (0.51) 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