SCHEMBL17219998

SCHEMBL17219998

N#Cc1nc(N)nc(Nc2cccc(F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.62
▸ CTSL P07711 4/20 0.62
▸ CTSS P25774 4/20 0.62
▸ CTSB P07858 3/20 0.62
▸ RAB9A P51151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PAX8 Q06710 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CTSV O60911 2/20 0.45
▸ PLAT P00750 2/20 0.45

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
SCHEMBL17219933 0.83 CTSL (0.62) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL796672 0.82 CTSK (0.61) CTSKRAB9AMEN1KMT2AKDM4E
SCHEMBL17220462 0.78 MAPK1 (0.60) CTSKCTSLCTSSCTSVPLAT
SCHEMBL8525007 0.78 MEN1 (0.53) RAB9ATP53MEN1KMT2AKDM4E
SCHEMBL17220063 0.78 ROCK1 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL17220301 0.78 DHFR (0.45) CTSKCTSLCTSSCTSBRAB9A
SCHEMBL8525000 0.77 TP53 (0.59) CTSKCTSLCTSSCTSBRAB9A
SCHEMBL17220267 0.76 ROCK1 (0.55) CTSKCTSLCTSSCTSBRAB9A
SCHEMBL17220135 0.76 RAB9A (0.40) CTSKCTSLCTSSCTSBRAB9A
SCHEMBL795403 0.75 MAPT (0.38) CTSKCTSLCTSSCTSBRAB9A

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
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