SCHEMBL20101023

SCHEMBL20101023

FC(F)(F)c1ccnc(N/N=C(\c2ccccc2)c2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
KDM4E B2RXH2 3/20 0.55
KDM6B O15054 1/20 0.55
TET3 O43151 1/20 0.55
KDM4A O75164 1/20 0.55
KDM4B O94953 1/20 0.55
KDM5A P29375 1/20 0.55
KDM5C P41229 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
TET2 Q6N021 1/20 0.55
TET1 Q8NFU7 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
AGTR1 P30556 4/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 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
SCHEMBL4926318 0.81 KDM4E (0.72) MEN1KMT2AHPGDGAAALOX12
SCHEMBL20101080 0.81 KDM4E (0.72) MEN1KMT2AHPGDGAAALOX12
SCHEMBL20101033 0.81 KDM4E (0.58) MEN1KMT2AHPGDGAAALOX12
SCHEMBL31151100 0.77 ALDH1A1 (0.56) MEN1KMT2AHPGDGAAALOX12
SCHEMBL31151098 0.77 ALDH1A1 (0.56) MEN1KMT2AHPGDGAAALOX12
SCHEMBL20101038 0.76 HSP90AA1 (0.71) MEN1KMT2AHPGDGAAALOX12
SCHEMBL20101083 0.76 KDM4E (0.64) MEN1KMT2AHPGDGAAALOX12
SCHEMBL18292348 0.74 KMT2A (0.81) MEN1KMT2AHPGDGAAALOX12
SCHEMBL17895178 0.74 TLR7 (0.60) MEN1KMT2AALDH1A1TLR7RAB9A
SCHEMBL15267189 0.72 KDM4E (0.58) MEN1KMT2AHPGDGAAALOX12

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