SCHEMBL13818129

SCHEMBL13818129

Ic1cnn2cc(-c3ccccc3)cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.59
BMP4 P12644 2/20 0.52
FLT1 P17948 3/20 0.49
FLT4 P35916 3/20 0.49
PRKAB1 Q9Y478 3/20 0.48
ACVR1 Q04771 3/20 0.48
TGFBR1 P36897 1/20 0.48
MAOB P27338 1/20 0.48
GAK O14976 1/20 0.47
PRKAB2 O43741 2/20 0.46
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAA1 Q13131 2/20 0.46
PRKAG3 Q9UGI9 2/20 0.46
PRKAG2 Q9UGJ0 2/20 0.46
MAP4K4 O95819 2/20 0.44
MAP4K2 Q12851 2/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL3319815 0.83 KDR (0.61) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL14424408 0.81 KDR (0.85) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL4482059 0.80 KDR (0.70) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL30184324 0.77 KDR (0.56) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL12613502 0.76 KDR (0.55) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL7610636 0.74 KDR (1.00) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL25291998 0.73 PRKAB2 (0.38) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL7618521 0.73 KDR (0.77) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL7618559 0.73 KDR (0.77) KDRBMP4FLT1FLT4PRKAB1
SCHEMBL5405900 0.73 KDR (0.72) KDRBMP4FLT1FLT4PRKAB1

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-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed