SCHEMBL11544508

SCHEMBL11544508

NC(=O)c1c(N)nn(-c2ccccc2)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.62
BRAF P15056 1/20 0.62
KDR P35968 1/20 0.62
HPGD P15428 3/20 0.54
RIPK2 O43353 4/20 0.53
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 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
SCHEMBL2546507 0.83 HPGD (0.71) SRCBRAFKDRHPGDRIPK2
SCHEMBL10568444 0.80 SRC (0.56) SRCBRAFKDRHPGDRIPK2
SCHEMBL2545006 0.80 GAA (0.56) SRCBRAFKDRHPGDRIPK2
SCHEMBL13974570 0.80 HPGD (0.58) SRCBRAFKDRHPGDRIPK2
SCHEMBL13974792 0.80 SRC (0.56) SRCBRAFKDRHPGDRIPK2
SCHEMBL14833703 0.77 SRC (1.00) SRCBRAFKDRHPGDRIPK2
SCHEMBL13858471 0.77 KDM4E (0.54) SRCBRAFKDRHPGDRIPK2
SCHEMBL8356085 0.76 SRC (0.74) SRCBRAFKDRHPGDRIPK2
SCHEMBL27698467 0.76 HPGD (0.54) SRCBRAFKDRHPGDRIPK2
SCHEMBL27660244 0.75 MEN1 (0.65) HPGDKMT2AKDM4EMEN1ALDH1A1

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-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed