SCHEMBL7996592

SCHEMBL7996592

COC(=O)Oc1nccnc1NCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FLT1 P17948 3/20 0.42
PGK1 P00558 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PDE5A O76074 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL7996741 0.79 KDR (0.49) KDRHDAC3HDAC1HDAC2HDAC6
SCHEMBL1465529 0.78 KDR (0.46) KDRHDAC3HDAC1HDAC2HDAC6
SCHEMBL6542710 0.73 KDR (0.62) KDRALDH1A1
SCHEMBL427330 0.70 KDR (0.69) KDRFLT1
SCHEMBL8002375 0.69 KMT2A (0.48) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL1466583 0.69 KDR (0.60) KDRHDAC3HDAC1HDAC2HDAC6
SCHEMBL1715372 0.68 KDR (0.65) KDR
SCHEMBL28236466 0.68 KDR (0.62) KDR
SCHEMBL2636627 0.68 KDM4E (0.34) SMN1; SMN2ALDH1A1LMNA
SCHEMBL24693282 0.67 KDR (0.52) KDRHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001085715-A2 AZA- AND POLYAZANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-11-15 WO claimed
WO-2001085715-A2 AZA- AND POLYAZANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-11-15 WO disclosed