SCHEMBL6186511

SCHEMBL6186511

Cc1ccc2nc(NC(=O)C(F)(F)F)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.70
TP53 P04637 4/20 0.66
RAB9A P51151 13/20 0.62
NPC1 O15118 12/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
HPGD P15428 2/20 0.62
MAP3K5 Q99683 1/20 0.62
ACP1 P24666 1/20 0.61
PTPN1 P18031 1/20 0.60
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
OPRK1 P41145 1/20 0.58

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
SCHEMBL19844521 0.86 DYRK1A (0.70) DYRK1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL6187983 0.84 DYRK1A (0.70) DYRK1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL13762152 0.84 DYRK1A (0.64) DYRK1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6191383 0.83 DYRK1A (0.76) DYRK1AACP1
SCHEMBL6189280 0.83 DYRK1A (0.68) DYRK1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6191485 0.83 NPC1 (0.72) DYRK1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL2175580 0.82 DYRK1A (1.00) DYRK1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL14613956 0.82 DYRK1A (0.64) DYRK1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL13486495 0.81 DYRK1A (0.76) DYRK1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL20015956 0.81 DYRK1A (0.62) DYRK1ATP53RAB9ANPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043319-B1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEM CORP (JP) 2005-03-16 EP disclosed
EP-1043319-A1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed