SCHEMBL7550587

SCHEMBL7550587

COc1ccc(-c2cncc(-c3cn(C(C)CN(C)C)c4ccccc34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K4 O95819 1/20 0.37
BMP4 P12644 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR6 P50406 2/20 0.36
ACACA Q13085 1/20 0.35
TSPO P30536 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
SCHEMBL7549809 0.91 HTR6 (0.43) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7546221 0.90 KDR (0.48) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7549779 0.89 KDR (0.54) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7555466 0.89 PDE4B (0.46) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7552885 0.88 KDR (0.51) KDRFLT1FLT4PDE4BPDE4D
SCHEMBL7990418 0.87 KDR (0.39) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7549222 0.87 KDR (0.40) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7987876 0.85 PDE4B (0.45) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7986664 0.84 MAOB (0.40) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7550632 0.84 PDE4B (0.43) KDRFLT1FLT4CYP11B1CYP11B2

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