SCHEMBL6187983

SCHEMBL6187983

O=C(Nc1nc2ccc(F)cc2s1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.70
PDPK1 O15530 1/20 0.70
LRRK2 Q5S007 2/20 0.64
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 5/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 4/20 0.60
HTT P42858 4/20 0.60
PKM P14618 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
POLB P06746 1/20 0.60
AGTR1 P30556 1/20 0.60
OPRK1 P41145 1/20 0.60
PTPN1 P18031 1/20 0.58
MEN1 O00255 3/20 0.57

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
SCHEMBL6189280 0.84 DYRK1A (0.68) DYRK1ALRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL6191383 0.84 DYRK1A (0.76) DYRK1ALRRK2ACP1
SCHEMBL6186511 0.84 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3787846 0.84 DYRK1A (0.76) DYRK1APDPK1LRRK2NPC1RAB9A
SCHEMBL15521825 0.82 DYRK1A (1.00) DYRK1APDPK1LRRK2NPC1RAB9A
SCHEMBL6641942 0.82 DYRK1A (0.74) DYRK1APDPK1LRRK2NPC1RAB9A
SCHEMBL13762152 0.82 DYRK1A (0.64) DYRK1APDPK1NPC1RAB9ASMN1; SMN2
SCHEMBL6191485 0.81 NPC1 (0.72) DYRK1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6193159 0.81 DYRK1A (0.77) DYRK1ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6190386 0.81 ADORA1 (0.65) DYRK1ANPC1RAB9ASMN1; SMN2MAPT

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