SCHEMBL19986847

SCHEMBL19986847

Cc1ccccc1NCc1cnc(N)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
ADRA2C P18825 3/20 0.47
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.43
SCD O00767 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
MPI P34949 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA2B P18089 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
CLK4 Q9HAZ1 4/20 0.42
CYP2D6 P10635 3/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL19986835 0.82 MEN1 (0.54) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL14704861 0.81 MEN1 (1.00) KMT2AMEN1ADRA2CMAPTALDH1A1
SCHEMBL14704868 0.77 MEN1 (0.62) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL19986922 0.76 MEN1 (0.47) KMT2AMEN1HTTALDH1A1ALOX12
SCHEMBL2397579 0.73 GAA (0.60) KMT2AMEN1ADRA2CHTTMAPT
SCHEMBL807843 0.70 MEN1 (0.49) KMT2AMEN1
SCHEMBL10885162 0.70 ADRA2C (0.51) KMT2AMEN1ADRA2CHTTMAPT
SCHEMBL5134065 0.69 MEN1 (0.53) KMT2AMEN1POLBCYP1A2CYP2D6
SCHEMBL6469053 0.69 CASR (0.50) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL28046517 0.67 MAPT (0.60) KMT2AMEN1ADRA2CHTTMAPT

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