SCHEMBL7546102

SCHEMBL7546102

N#CC1CCN(CCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.75
FLT1 P17948 4/20 0.74
FLT4 P35916 4/20 0.74
CYP2A6 P11509 1/20 0.38
NFATC1 O95644 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
FLT3 P36888 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
SCHEMBL7549926 0.89 KDR (0.57) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7976012 0.89 KDR (0.59) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7976915 0.89 KDR (0.59) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7557708 0.87 KDR (0.56) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7549555 0.87 KDR (0.56) KDRFLT1FLT4CYP2A6GSK3B
SCHEMBL7994055 0.86 KDR (0.56) KDRFLT1FLT4CYP2A6
SCHEMBL7556531 0.86 KDR (1.00) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7549908 0.86 KDR (1.00) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7557245 0.85 KDR (0.54) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7506453 0.85 KDR (1.00) KDRFLT1FLT4NFATC1GSK3B

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