SCHEMBL7549609

SCHEMBL7549609

CC(CN(C)C)n1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.49
FLT1 P17948 4/20 0.49
FLT4 P35916 4/20 0.49
GRIN2B Q13224 3/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GRIN1 Q05586 1/20 0.34
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ACP1 P24666 1/20 0.33
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL7988607 0.92 KDR (0.43) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7994139 0.92 KDR (0.41) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7552885 0.90 KDR (0.51) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7549779 0.89 KDR (0.54) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7986898 0.87 KDR (0.38) KDRFLT1FLT4GRIN2BTAAR1
SCHEMBL7990227 0.87 PDE4B (0.45) KDRFLT1FLT4GRIN2BGSK3B
SCHEMBL7557902 0.87 KDR (0.46) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7548512 0.87 KDR (0.43) KDRFLT1FLT4
SCHEMBL7546221 0.86 KDR (0.48) KDRFLT1FLT4GSK3B
SCHEMBL7990118 0.85 KDR (0.39) KDRFLT1FLT4GRIN2BTAAR1

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