SCHEMBL7552023

SCHEMBL7552023

N#CC1CCN(CCn2cc(-c3cncc(-c4cccc(Cl)c4)c3)c3c(Cl)cccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.40
FLT1 P17948 3/20 0.39
FLT4 P35916 3/20 0.39
GRIN2B Q13224 2/20 0.35
GRIN1 Q05586 1/20 0.35
RPS6KB1 P23443 2/20 0.34
AKT1 P31749 2/20 0.34
PIM1 P11309 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7550735 0.93 KDR (0.42) KDRFLT1FLT4GRIN2BIL1B
SCHEMBL7547866 0.92 KDR (0.40) KDRFLT1FLT4ALDH1A1MAPT
SCHEMBL7555654 0.89 AVPR1B (0.38) KDRFLT1FLT4KMT2ALMNA
SCHEMBL7555006 0.89 KDR (0.52) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7994055 0.87 KDR (0.56) KDRFLT1FLT4RPS6KB1AKT1
SCHEMBL7548831 0.87 KDR (0.44) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7550486 0.87 KDR (0.44) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7553661 0.86 SLC6A4 (0.40) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7553655 0.86 KDR (0.39) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7548475 0.86 KDR (0.52) KDRFLT1FLT4GRIN2BGRIN1

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