SCHEMBL17742991

SCHEMBL17742991

CC1=NCNC(C(F)(F)F)=C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MCL1 Q07820 1/20 0.38
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1105451 0.70
SCHEMBL17743233 0.67
SCHEMBL17743164 0.67
SCHEMBL16421167 0.64 LRRK2 (0.30)
SCHEMBL2039136 0.64
SCHEMBL21693586 0.57
SCHEMBL347283 0.54 NISCH (0.41) LMNARAB9A
SCHEMBL11852493 0.54
SCHEMBL18843032 0.52
SCHEMBL10296468 0.52

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-2016073891-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2016-05-12 WO disclosed