SCHEMBL6916172

SCHEMBL6916172

COc1ccc(CCNc2nc(N)nc(N(C)C3CCN(C)CC3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC2A1 P11166 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
EHMT2 Q96KQ7 4/20 0.39
EHMT1 Q9H9B1 4/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5552484 0.87 EHMT2 (0.47) LMNATSHRALOX15NPSR1POLB
SCHEMBL5030894 0.86 EHMT2 (0.47) LMNATSHRALOX15NPSR1POLB
SCHEMBL4839029 0.83 GALR1 (0.46) EHMT2EHMT1FGFR3
SCHEMBL14294397 0.79 EHMT2 (0.47) LMNATSHRALOX15NPSR1POLB
SCHEMBL4828965 0.78 EHMT2 (0.49) LMNAEHMT2EHMT1MAPT
SCHEMBL4832446 0.78 GALR1 (0.42) LMNANPSR1EHMT2EHMT1MAPT
SCHEMBL5032253 0.76 EHMT2 (0.47) LMNATSHRALOX15NPSR1POLB
SCHEMBL14533522 0.75 EHMT2 (0.46) LMNATSHRALOX15NPSR1POLB
SCHEMBL6237774 0.74 EHMT2 (0.45) TSHRSLC2A1EHMT2EHMT1
SCHEMBL6270071 0.74 AXL (0.40) FGFR3CSF1R

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-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed