SCHEMBL7552885

SCHEMBL7552885

CC(CN(C)C)n1cc(-c2cncc(-c3ccc(Cl)cc3)c2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.51
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SCN2A Q99250 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
SLC2A1 P11166 1/20 0.34
HTR6 P50406 2/20 0.33
MAP4K4 O95819 1/20 0.33
CNR1 P21554 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
JAK2 O60674 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7549779 0.91 KDR (0.54) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7976277 0.90 KDR (0.43) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7549609 0.90 KDR (0.49) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7557902 0.88 KDR (0.46) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7548512 0.88 KDR (0.43) KDRFLT1FLT4SLC2A1HTR6
SCHEMBL7550587 0.88 KDR (0.49) KDRFLT1FLT4HTR6MAP4K4
SCHEMBL7986476 0.85 KDR (0.39) KDRFLT1FLT4SCN2ASCN10A
SCHEMBL7987876 0.85 PDE4B (0.45) KDRFLT1FLT4HTR6PDE4B
SCHEMBL7976518 0.83 KDR (0.72) KDRFLT1FLT4DYRK1ASCN2A
SCHEMBL7994139 0.83 KDR (0.41) KDRFLT1FLT4PDE4BPDE4D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed