SCHEMBL15909593

SCHEMBL15909593

c1cnc2cn3ccnc3cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.44
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CASP1 P29466 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DYRK1A Q13627 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL1104802 0.79 DYRK1A (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29350099 0.69 NPC1 (0.65) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL150476 0.69 NPC1 (0.65) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL21530593 0.68 KDM4E (0.50) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL6647315 0.67 NPC1 (0.62) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL13156510 0.65 NPC1 (0.60) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL18700662 0.65 NPC1 (0.60) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL13156520 0.65 NPC1 (0.60) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL12532559 0.65 NPC1 (0.60) NPC1POLBRAB9ACASP6ALDH1A1
SCHEMBL50867 0.63 ALDH1A1 (0.61) NPC1POLBRAB9ACASP6ALDH1A1

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
US-8796303-B2 Imidazo[2,1-G][1,7]naphthyridines for treating respiratory syncytial virus infections BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2014-08-05 US disclosed