SCHEMBL7011986

SCHEMBL7011986

O=C(Nc1ccncc1)Oc1ccc2cccnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
LMNA P02545 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GALR3 O60755 1/20 0.44
STAT3 P40763 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PRKCI P41743 1/20 0.43
MDM2 Q00987 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PRNP P04156 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL7020816 0.90 HSP90AA1 (0.63) HSP90AA1LMNAKDM4EKMT2AMEN1
SCHEMBL7017485 0.86 EGLN1 (0.52) HSP90AA1LMNAKDM4ENPC1RAB9A
SCHEMBL7015297 0.81 NPC1 (0.49) HSP90AA1LMNAKDM4EKMT2AMEN1
SCHEMBL28769096 0.78 HSD17B10 (0.49) LMNAKDM4EKMT2AMEN1POLB
SCHEMBL7015247 0.77 NPC1 (0.51) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL7017772 0.77 NPC1 (0.50) HSP90AA1LMNAKDM4EKMT2AMEN1
SCHEMBL7012199 0.77 KDM4E (0.58) LMNAKDM4EKMT2AMEN1POLB
SCHEMBL7014400 0.77 BAZ1A (0.59) HSP90AA1LMNAKDM4EKMT2AMEN1
SCHEMBL27575240 0.74 KDM4E (0.53) HSP90AA1LMNAKDM4EKMT2AMEN1
SCHEMBL7018630 0.74 NPC1 (0.53) KDM4EKMT2AMEN1POLBNPC1

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-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed