SCHEMBL7017485

SCHEMBL7017485

O=C(Nc1cccnc1)Oc1ccc2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.52
HSP90AA1 P07900 1/20 0.49
TSHR P16473 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 2/20 0.45
PRKCI P41743 1/20 0.45
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
NOTUM Q6P988 1/20 0.44
PRNP P04156 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.88 HSP90AA1 (0.63) EGLN1HSP90AA1NPC1RAB9APKM
SCHEMBL7011986 0.86 HSP90AA1 (0.51) EGLN1HSP90AA1NPC1RAB9APRKCI
SCHEMBL5775246 0.80 ABL1 (0.62) PRKCI
SCHEMBL7021606 0.79 EPHX1 (0.52) PKMNAMPTLMNAMAPT
SCHEMBL7011976 0.78 RAB9A (0.58) EGLN1NPC1RAB9APKMNAMPT
SCHEMBL7015297 0.78 NPC1 (0.49) HSP90AA1TSHRNPC1RAB9APKM
SCHEMBL7014400 0.77 BAZ1A (0.59) HSP90AA1NPC1RAB9ALMNAKCNH2
SCHEMBL7015247 0.75 NPC1 (0.51) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL7017772 0.75 NPC1 (0.50) HSP90AA1TSHRNPC1RAB9ALMNA
SCHEMBL241619 0.73 NPC1 (0.63) NPC1RAB9APKMNAMPTLMNA

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