SCHEMBL20101020

SCHEMBL20101020

C/C(=N\Nc1cnccn1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.59
KMT2A Q03164 6/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 4/20 0.55
MEN1 O00255 3/20 0.55
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX12 P18054 1/20 0.55
GFER P55789 1/20 0.55
HSP90AA1 P07900 5/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
OPRK1 P41145 1/20 0.53
NPC1 O15118 4/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TOP2A P11388 2/20 0.50

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
SCHEMBL6715793 0.86 PAX8 (0.67) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL20101085 0.86 PAX8 (0.67) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL6715790 0.86 PAX8 (0.67) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL20101083 0.80 KDM4E (0.64) KMT2AMAPTSMN1; SMN2GAAMEN1
SCHEMBL20101025 0.77 KMT2A (0.64) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL31237795 0.77 KDM4E (0.68) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL14540616 0.76 KMT2A (0.75) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL28153216 0.76 KMT2A (0.75) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL20101022 0.75 PAX8 (0.65) PAX8KMT2AMAPTSMN1; SMN2GAA
SCHEMBL31238176 0.74 PAX8 (1.00) PAX8KMT2AMAPTSMN1; SMN2GAA

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-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 WO disclosed