SCHEMBL7546645

SCHEMBL7546645

COc1cccc(-c2cncc(-c3cn(C(C)CN(C)C)c4c(OC)cccc34)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
AVPR1B P47901 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
BRD4 O60885 1/20 0.37
FYN P06241 2/20 0.36
KIT P10721 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7549222 0.91 KDR (0.40) FLT1FLT4KDRCYP11B1CYP11B2
SCHEMBL7549333 0.91 KDR (0.43) FLT1FLT4KDRCYP11B1CYP11B2
SCHEMBL7990118 0.89 KDR (0.39) FLT1FLT4KDRFYNCNR2
SCHEMBL7546221 0.88 KDR (0.48) FLT1FLT4KDRAVPR1BCYP11B1
SCHEMBL7547229 0.87 KDR (0.51) FLT1FLT4KDRAVPR1BCYP11B1
SCHEMBL7550632 0.86 PDE4B (0.43) FLT1FLT4KDRAVPR1BCYP11B1
SCHEMBL7990501 0.85 KDR (0.58) FLT1FLT4KDRPDGFRBPDGFRA
SCHEMBL7976435 0.83 PRKCA (0.42) FLT1FLT4KDRAVPR1BCYP11B1
SCHEMBL7555811 0.81 KDR (0.50) KDRCYP11B1CYP11B2PDGFRBPDGFRA
SCHEMBL7990817 0.80 KDR (0.36) FLT1FLT4KDRAVPR1BCYP11B1

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