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
SCHEMBL6186511 0.84 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6191383 0.84 DYRK1A (0.76) DYRK1ALRRK2ACP1
SCHEMBL3787846 0.84 DYRK1A (0.76) DYRK1APDPK1LRRK2NPC1RAB9A
SCHEMBL6641942 0.82 DYRK1A (0.74) DYRK1APDPK1LRRK2NPC1RAB9A
SCHEMBL15521825 0.82 DYRK1A (1.00) 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
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