SCHEMBL7512866

SCHEMBL7512866

COc1ccc2c(c1)c(-c1cncc(-c3ccccc3)c1)cn2CCCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.60
PRKD1 Q15139 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GSK3B P49841 6/20 0.48
HTR6 P50406 6/20 0.46
KMT2A Q03164 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
QPCT Q16769 5/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
FLT3 P36888 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1E P28566 1/20 0.42

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
SCHEMBL7990876 0.94 KDR (0.56) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7987071 0.93 KDR (0.56) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7986701 0.90 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7993991 0.90 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7549158 0.89 KDR (0.69) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7550679 0.87 KDR (0.67) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7993801 0.87 KDR (0.75) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7990591 0.86 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7557087 0.86 KDR (0.77) KDRPRKD1TDP1GSK3BKMT2A
SCHEMBL7546697 0.86 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6

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