SCHEMBL19986835

SCHEMBL19986835

Cc1ccc(C)c(NCc2cnc(N)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
DHFR P00374 3/20 0.48
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL19986847 0.82 KMT2A (0.68) MEN1KMT2ADHFRALDH1A1LMNA
SCHEMBL17208719 0.79 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL17208694 0.76 HDAC8 (0.42) MEN1KMT2AHTTCYP3A4
SCHEMBL19986857 0.75 KIT (0.43) MEN1KMT2A
SCHEMBL14704861 0.70 MEN1 (1.00) MEN1KMT2ADHFRALDH1A1LMNA
SCHEMBL14704868 0.69 MEN1 (0.62) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL807843 0.68 MEN1 (0.49) MEN1KMT2ANOS3NOS2
SCHEMBL19986922 0.68 MEN1 (0.47) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9363410 0.67 RAPGEF4 (0.52) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5608865 0.66 HDAC8 (0.59) MEN1KMT2AALDH1A1LMNAGAA

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
EP-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 EP disclosed