SCHEMBL13955413

SCHEMBL13955413

CO[n+]1ccc(Cc2cnc(Nc3ccc(C(C)C)c(C)c3)c3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.37
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDGFRB P09619 3/20 0.34
▸ KIT P10721 3/20 0.34
▸ FLT1 P17948 3/20 0.34
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL7205123 0.85 FLT1 (0.44) KDRSMN1; SMN2PDGFRBKITFLT1
SCHEMBL1383073 0.76 CCNK (0.35) KDRGAASMN1; SMN2PDGFRBKIT
SCHEMBL1383890 0.75 GAA (0.37) KDRGAAMAPT
SCHEMBL1383433 0.74 NAMPT (0.47) KDRFLT1MAPTCYP1A2
SCHEMBL1384331 0.73 NAMPT (0.36) KDRGAASMN1; SMN2PDGFRBKIT
SCHEMBL13955578 0.73 KDR (0.54) KDRPDGFRBKITFLT1MAPT
SCHEMBL13955450 0.73 FLT1 (0.48) KDRSMN1; SMN2PDGFRBKITFLT1
SCHEMBL13955594 0.72 KDR (0.51) KDRPDGFRBKITFLT1
SCHEMBL13955639 0.70 SMN1; SMN2 (0.52) KDRGAASMN1; SMN2PDGFRBKIT
SCHEMBL13955448 0.69 FLT1 (0.47) KDRGAASMN1; SMN2PDGFRBKIT

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-1603566-B1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES NOVARTIS AG (CH) 2009-01-21 — — EP disclosed
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