SCHEMBL4740449

SCHEMBL4740449

CC(C)[C@@H]1OCC[C@@H](Nc2nnc(Cc3ccc(O)nc3)c3ccccc23)O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.33
▸ SMO Q99835 3/20 0.33
▸ FLT1 P17948 5/20 0.32
▸ PDGFRB P09619 3/20 0.32
▸ KIT P10721 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SGPL1 O95470 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
SCHEMBL4740445 1.00 KDR (0.33) KDRSMOFLT1PDGFRBKIT
SCHEMBL4680006 0.83 KDR (0.35) KDRSMOFLT1PDGFRBKIT
SCHEMBL1930868 0.83 KDR (0.35) KDRSMOFLT1PDGFRBKIT
SCHEMBL4679265 0.79 KDM4E (0.40) KDRSMOFLT1PDGFRBKIT
SCHEMBL1931665 0.79 KDM4E (0.40) KDRSMOFLT1PDGFRBKIT
SCHEMBL1931638 0.70 KDR (0.41) KDRFLT1PDGFRBKITMEN1
SCHEMBL1929839 0.66 KDR (0.42) KDRFLT1PDGFRBKITMEN1
SCHEMBL1930854 0.66 KDR (0.67) KDRFLT1PDGFRBKIT
SCHEMBL1930948 0.65 KDR (0.42) KDRFLT1PDGFRBKIT
SCHEMBL4681363 0.65 KDR (0.42) KDRFLT1PDGFRBKIT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387836-B1 PHTHALAZINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2008-04-23 — — EP claimed
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