SCHEMBL6189280

SCHEMBL6189280

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.68
FSCN1 Q16658 1/20 0.68
CASP3 P42574 10/20 0.64
SENP7 Q9BQF6 10/20 0.64
SENP8 Q96LD8 9/20 0.64
SENP6 Q9GZR1 9/20 0.64
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
PTPN1 P18031 1/20 0.57
LRRK2 Q5S007 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL9891926 0.86 DYRK1A (0.72) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL6187983 0.84 DYRK1A (0.70) DYRK1ACASP3SENP7SENP8SENP6
SCHEMBL6191383 0.83 DYRK1A (0.76) DYRK1ALRRK2CSNK1D
SCHEMBL6186511 0.83 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11279344 0.81 DYRK1A (1.00) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL13762152 0.81 DYRK1A (0.64) DYRK1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6193159 0.80 DYRK1A (0.77) DYRK1ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6191485 0.80 NPC1 (0.72) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6190386 0.80 ADORA1 (0.65) DYRK1ACASP3SENP7SENP8SENP6
SCHEMBL29477209 0.79 DYRK1A (0.70) DYRK1AFSCN1CASP3SENP7SENP8

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