SCHEMBL7550679

SCHEMBL7550679

COc1cccc(-c2cncc(-c3cn(CCCN(C)C)c4ccccc34)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.67
GSK3B P49841 3/20 0.51
QPCT Q16769 1/20 0.51
FLT3 P36888 1/20 0.49
FLT1 P17948 4/20 0.48
FLT4 P35916 4/20 0.48
PRKACA P17612 2/20 0.47
PRKACG P22612 2/20 0.47
PRKACB P22694 2/20 0.47
PRKD1 Q15139 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRKCA P17252 3/20 0.45
PRKCB P05771 2/20 0.45
PRKCH P24723 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
PIM1 P11309 1/20 0.45
BRD4 O60885 1/20 0.44
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 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
SCHEMBL7987071 0.92 KDR (0.56) KDRGSK3BQPCTFLT3PRKD1
SCHEMBL7549158 0.90 KDR (0.69) KDRGSK3BQPCTFLT3FLT1
SCHEMBL7991002 0.89 KDR (0.53) KDRGSK3BQPCTFLT3FLT1
SCHEMBL7546697 0.89 KDR (0.53) KDRGSK3BQPCTFLT3FLT1
SCHEMBL7557087 0.88 KDR (0.77) KDRGSK3BFLT3FLT1FLT4
SCHEMBL7512866 0.87 KDR (0.60) KDRGSK3BQPCTFLT3FLT1
SCHEMBL7555811 0.87 KDR (0.50) KDRGSK3BQPCTFLT3PRKD1
SCHEMBL7990759 0.86 KDR (0.51) KDRGSK3BQPCTFLT3PRKD1
SCHEMBL7550695 0.86 KDR (0.69) KDRGSK3BFLT3FLT1FLT4
SCHEMBL7986680 0.86 KDR (0.49) KDRGSK3BQPCTFLT3FLT1

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