SCHEMBL3708286

SCHEMBL3708286

Nc1cnc(Cl)nc1NNC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.44
KCNQ2 O43526 4/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
BACE1 P56817 1/20 0.44
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
MAOA P21397 1/20 0.40
GAA P10253 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNQ5 Q9NR82 3/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL3708830 0.80 PIN1 (0.49) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL3705907 0.78 MAOA (0.42) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL15146279 0.73 AURKA (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL27244007 0.69 STK17B (0.43) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL30881391 0.69 STK17B (0.43) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14516645 0.69 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL17623633 0.68 STK17B (0.57) MEN1KMT2AMAPTHTT
SCHEMBL27243764 0.67 NPC1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2287134 0.67 MAOA (0.68) KDM4EHDAC1HDAC2MAOAGAA
SCHEMBL25981388 0.67 NPC1 (0.59) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed