SCHEMBL7549070

SCHEMBL7549070

COc1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccc(Cl)c34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
FLT1 P17948 4/20 0.44
FLT4 P35916 4/20 0.44
MAOB P27338 1/20 0.40
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
FLT3 P36888 1/20 0.39
P2RX7 Q99572 3/20 0.38
IL1B P01584 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 3/20 0.36

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
SCHEMBL7548335 0.95 KDR (0.51) KDRFLT1FLT4MAOBCHRNB1
SCHEMBL7549957 0.92 KDR (0.49) KDRFLT1FLT4FLT3KMT2A
SCHEMBL7994332 0.92 KDR (0.50) KDRFLT1FLT4MAOB
SCHEMBL7546351 0.89 KDR (0.53) KDRFLT1FLT4CHRNB1CHRNB2
SCHEMBL7554146 0.88 KDR (0.56) KDRFLT1FLT4FLT3P2RX7
SCHEMBL7551474 0.87 KDR (0.53) KDRFLT1FLT4MAOB
SCHEMBL7553661 0.87 SLC6A4 (0.40) KDRFLT1FLT4MAOBCHRNB1
SCHEMBL7551265 0.86 KDR (0.50) KDRFLT1FLT4KMT2A
SCHEMBL7994209 0.85 KDR (0.46) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7555221 0.85 KDR (0.68) KDRFLT1FLT4FLT3

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