SCHEMBL7549872

SCHEMBL7549872

CC(C)N(CCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21)C(C)C

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.81
FLT1 P17948 4/20 0.69
FLT4 P35916 4/20 0.69
CYP2A6 P11509 4/20 0.43
CAMK2D Q13557 1/20 0.36
DYRK1A Q13627 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1D P28221 1/20 0.36
GSK3B P49841 2/20 0.35
NFATC1 O95644 1/20 0.35
CHEK2 O96017 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
SCHEMBL7550287 0.90 KDR (1.00) KDRFLT1FLT4CYP2A6HTR1D
SCHEMBL7554970 0.88 KDR (0.81) KDRFLT1FLT4CYP2A6CAMK2D
SCHEMBL7553991 0.86 KDR (1.00) KDRFLT1FLT4CYP2A6KCNH2
SCHEMBL7551626 0.84 KDR (0.79) KDRFLT1FLT4CYP2A6CAMK2D
SCHEMBL7550368 0.83 KDR (0.73) KDRFLT1FLT4CYP2A6CAMK2D
SCHEMBL7547755 0.82 KDR (1.00) KDRFLT1FLT4CYP2A6DYRK1A
SCHEMBL7555190 0.80 KDR (1.00) KDRFLT1FLT4CYP2A6DYRK1A
SCHEMBL7976107 0.80 KDR (0.68) KDRFLT1FLT4CYP2A6CAMK2D
SCHEMBL7556531 0.80 KDR (1.00) KDRFLT1FLT4CYP2A6DYRK1A
SCHEMBL7549908 0.80 KDR (1.00) KDRFLT1FLT4CYP2A6DYRK1A

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