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SCHEMBL20767486

SCHEMBL20767486

C=CC(=O)N1CC[C@H](Nc2cc(CNC(C)C(C)(C)C)cc(Nc3nc4cccnc4s3)n2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 6/20 1.00
▸ BTK Q06187 13/20 0.47
▸ HCK P08631 8/20 0.47
▸ LCK P06239 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ JAK3 P52333 3/20 0.39
▸ TEC P42680 3/20 0.39
▸ TXK P42681 3/20 0.39
▸ RORC P51449 1/20 0.38
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL20767487 1.00 ITK (1.00) ITKBTKHCKLCKAURKB
SCHEMBL20767484 1.00 ITK (1.00) ITKBTKHCKLCKAURKB
SCHEMBL807822 0.90 ITK (0.81) ITKBTKHCKLCKAURKB
SCHEMBL25069003 0.87 ITK (0.76) ITKBTKHCKLCKAURKB
SCHEMBL23409058 0.87 ITK (0.76) ITKBTKHCKLCKAURKB
SCHEMBL25069002 0.86 ITK (0.75) ITKBTKHCKLCKAURKB
SCHEMBL25069001 0.86 ITK (0.75) ITKBTKHCKLCKAURKB
SCHEMBL22374670 0.83 ITK (0.71) ITKBTKHCKLCKAURKB
SCHEMBL2398855 0.83 ITK (0.70) ITKBTKLCKAURKBTEC
SCHEMBL2397738 0.83 ITK (0.70) ITKBTKLCKAURKBTEC

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-2019040706-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VITILIGO ACLARIS THERAPEUTICS, INC. (US) 2019-02-28 — — WO disclosed