SCHEMBL7548486

SCHEMBL7548486

CC(CN(C)C)n1cc(-c2cncc(-c3ccccc3)c2)c2c(Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
SMO Q99835 1/20 0.35
GRIN2B Q13224 2/20 0.34
PLA2G4A P47712 1/20 0.32
CTSA P10619 1/20 0.31
GRIN1 Q05586 1/20 0.30
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL7986476 0.93 KDR (0.39) KDRFLT1FLT4SMOBMPR1B
SCHEMBL7986898 0.92 KDR (0.38) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7986664 0.89 MAOB (0.40) KDRFLT1FLT4PLA2G4A
SCHEMBL7990817 0.88 KDR (0.36) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7553622 0.87 KDR (0.55) KDRFLT1FLT4
SCHEMBL7986816 0.84 KDR (0.58) KDRFLT1FLT4SMOGRIN2B
SCHEMBL7549779 0.84 KDR (0.54) KDRFLT1FLT4CHRNA7
SCHEMBL7557902 0.81 KDR (0.46) KDRFLT1FLT4PLA2G4A
SCHEMBL7548512 0.81 KDR (0.43) KDRFLT1FLT4PLA2G4A
SCHEMBL7549609 0.80 KDR (0.49) KDRFLT1FLT4GRIN2BGRIN1

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