SCHEMBL7548512

SCHEMBL7548512

CC(CN(C)C)n1cc(-c2cncc(-c3ccccc3)c2)c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
MAT2A P31153 1/20 0.41
KDM4E B2RXH2 1/20 0.35
PDE4B Q07343 2/20 0.35
PDE4D Q08499 1/20 0.35
CNR1 P21554 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC2A1 P11166 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 2/20 0.32
OPRK1 P41145 1/20 0.32
TBXAS1 P24557 1/20 0.32
PLA2G4A P47712 1/20 0.32
LTB4R Q15722 1/20 0.32
LMNA P02545 1/20 0.32
GPR35 Q9HC97 1/20 0.32
SHMT1 P34896 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL7994139 0.93 KDR (0.41) KDRFLT1FLT4MAT2APDE4B
SCHEMBL7557902 0.92 KDR (0.46) KDRFLT1FLT4MAT2ACNR1
SCHEMBL7552885 0.88 KDR (0.51) KDRFLT1FLT4PDE4BPDE4D
SCHEMBL7549779 0.88 KDR (0.54) KDRFLT1FLT4
SCHEMBL7976435 0.88 PRKCA (0.42) KDRFLT1FLT4PDE4BPDE4D
SCHEMBL7549609 0.87 KDR (0.49) KDRFLT1FLT4
SCHEMBL7550794 0.86 KDR (0.56) KDRFLT1FLT4MAT2A
SCHEMBL7555466 0.86 PDE4B (0.46) KDRFLT1FLT4PDE4BPDE4D
SCHEMBL7976277 0.85 KDR (0.43) KDRFLT1FLT4SLC2A1
SCHEMBL7988607 0.84 KDR (0.43) KDRFLT1FLT4LMNA

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