SCHEMBL7550357

SCHEMBL7550357

CC(CN(C)C)Cn1cc(-c2cncc(-c3ccccc3)c2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.78
FLT1 P17948 4/20 0.78
FLT4 P35916 4/20 0.78
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
ASH1L Q9NR48 5/20 0.44
KCNH2 Q12809 2/20 0.41
DYRK1A Q13627 2/20 0.41
KAT2B Q92831 1/20 0.36
CAMK2D Q13557 1/20 0.35
DNM1 Q05193 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7976518 0.92 KDR (0.72) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7976092 0.90 KDR (0.70) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7994231 0.90 KDR (0.70) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7990966 0.89 KDR (0.63) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7987886 0.89 KDR (0.63) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7547790 0.88 KDR (0.68) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7547755 0.88 KDR (1.00) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7977281 0.87 KDR (0.61) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7986720 0.85 KDR (0.59) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7986816 0.84 KDR (0.58) KDRFLT1FLT4PRKACAPRKACG

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