SCHEMBL6818937

SCHEMBL6818937

CCC(Nc1nc(N)nc(Oc2ccc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK1 Q13464 1/20 0.34
GALR1 P47211 3/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GPR6 P46095 4/20 0.32
GALR2 O43603 1/20 0.31

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
SCHEMBL4837059 0.87 MAPK1 (0.39) MAPK1MEN1KMT2ASMN1; SMN2GALR1
SCHEMBL4829423 0.87 MEN1 (0.36) MAPK1MEN1KMT2AGALR1SLC6A2
SCHEMBL5035814 0.86 GALR1 (0.44) MAPK1MEN1KMT2AGALR1SLC6A2
SCHEMBL4837131 0.85 GALR1 (0.38) MAPK1MEN1KMT2AGALR1
SCHEMBL6207968 0.84 GALR1 (0.42) MAPK1ROCK1GALR1GALR2
SCHEMBL6820253 0.81 MAPK1 (0.37) MAPK1MEN1KMT2ASMN1; SMN2GALR1
SCHEMBL4832502 0.79 GALR1 (0.45) MAPK1GALR1GALR2
SCHEMBL5029128 0.78 PKM (0.33) KMT2AGALR1
SCHEMBL6209251 0.78 MAPK1 (0.35) MAPK1ROCK1
SCHEMBL6207668 0.78 MAPK1 (0.35) MAPK1

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
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed