SCHEMBL8525007

SCHEMBL8525007

Nc1nc(Cl)nc(Nc2cccc(F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFKB1 P19838 2/20 0.53
APP P05067 3/20 0.52
KDR P35968 2/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
RAD52 P43351 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL2874930 0.89 NFKB1 (0.65) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL8524478 0.84 MEN1 (0.71) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL8524506 0.84 MAPT (0.57) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL17323139 0.82 NFKB1 (0.79) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL30490523 0.82 NFKB1 (0.53) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL8525000 0.80 TP53 (0.59) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL8297647 0.79 TP53 (0.52) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL17220091 0.79 APP (0.68) APPMAPK1BRAFTXN
SCHEMBL17219998 0.78 CTSK (0.62) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL22123529 0.78 ABCG2 (0.58) MEN1KMT2ATP53NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 WO disclosed