SCHEMBL30397292

SCHEMBL30397292

COc1ccnc(NN)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KDM5A P29375 1/20 0.46
JMJD1C Q15652 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HTR3A P46098 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SYK P43405 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL25205112 1.00 KDM4E (0.46) KDM4EKDM5AJMJD1CKDM3AMEN1
SCHEMBL3265737 0.82 HTR3A (0.39) MEN1KMT2ALOXLOXL2HTR3A
Bromide SCHEMBL28439102 0.80 HTR3A (0.39) MEN1KMT2ALOXLOXL2HTR3A
SCHEMBL24128098 0.78 CYP1A2 (0.38) MEN1KMT2ALOXLOXL2HTR3A
SCHEMBL30421382 0.78 CYP1A2 (0.64) KDM4EMEN1KMT2AGAAMTNR1A
SCHEMBL12411165 0.77 MAPK8 (0.49) MEN1KMT2AHTR3AGRM4CYP1A2
SCHEMBL28860465 0.77 MKNK1 (0.42) GAAL3MBTL1LOXLOXL2HTR3A
SCHEMBL10055017 0.76 CLK4 (0.52)
SCHEMBL28051845 0.76 MTNR1A (0.38) MEN1KMT2AHTR3AMTNR1AMTNR1B
SCHEMBL28106387 0.76 MTNR1A (0.38) MEN1KMT2ALOXLOXL2HTR3A

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed