SCHEMBL7555006

SCHEMBL7555006

N#CC1CCN(CCn2cc(-c3cncc(-c4cccc(Cl)c4)c3)c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 2/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7548831 0.93 KDR (0.44) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7550486 0.93 KDR (0.44) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7557245 0.91 KDR (0.54) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7549926 0.91 KDR (0.57) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7552023 0.89 KDR (0.40) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7509366 0.88 KDR (0.47) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7550379 0.88 KDR (0.47) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7549993 0.88 KDR (0.40) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7555661 0.87 KDR (0.50) KDRFLT1FLT4GSK3B
SCHEMBL7553655 0.87 KDR (0.39) KDRFLT1FLT4GRIN1GRIN2B

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