SCHEMBL7546221

SCHEMBL7546221

COc1cccc(-c2cncc(-c3cn(C(C)CN(C)C)c4ccccc34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
BRD4 O60885 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
GSK3B P49841 2/20 0.38
PRKCA P17252 1/20 0.38
QPCT Q16769 1/20 0.38
AVPR1B P47901 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
WNK1 Q9H4A3 1/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7550632 0.92 PDE4B (0.43) KDRFLT1FLT4BRD4CYP11B1
SCHEMBL7550587 0.90 KDR (0.49) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7976435 0.89 PRKCA (0.42) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7546645 0.88 FLT1 (0.40) KDRFLT1FLT4BRD4CYP11B1
SCHEMBL7549779 0.88 KDR (0.54) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7555466 0.87 PDE4B (0.46) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7549609 0.86 KDR (0.49) KDRFLT1FLT4GSK3B
SCHEMBL7990817 0.86 KDR (0.36) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7990227 0.85 PDE4B (0.45) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7547790 0.85 KDR (0.68) KDRFLT1FLT4BRD4CYP11B1

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