SCHEMBL17220135

SCHEMBL17220135

N#Cc1nc(N)nc(Nc2cc(F)ccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSL P07711 6/20 0.39
CTSS P25774 6/20 0.39
CTSK P43235 6/20 0.39
CTSB P07858 4/20 0.38
PAX8 Q06710 1/20 0.36
CTSV O60911 2/20 0.36
PLAT P00750 2/20 0.36
CTSH P09668 2/20 0.36
CASP14 P31944 2/20 0.36
CASP6 P55212 2/20 0.36
CTSZ Q9UBR2 2/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36

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
SCHEMBL17220301 0.86 DHFR (0.45) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL17220341 0.79 LMNA (0.43) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL17220462 0.76 MAPK1 (0.60) CTSLCTSSCTSKCTSVPLAT
SCHEMBL17219998 0.76 CTSK (0.62) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL17220316 0.74 NPC1 (0.42) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL795403 0.73 MAPT (0.38) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL17220307 0.71 NPC1 (0.45) RAB9ASMN1; SMN2KDM4ENPC1HSD17B10
SCHEMBL17220229 0.71 DHFR (0.48) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL17219933 0.70 CTSL (0.62) NPC1CTSLCTSSCTSKCTSB
SCHEMBL796672 0.68 CTSK (0.61) RAB9ATSHRSMN1; SMN2KDM4ENPC1

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-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed