SCHEMBL7879449

SCHEMBL7879449

CSNc1cccc(-c2cnc3[nH]cc(C(=O)c4cc(N)ccc4F)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
BTK Q06187 5/20 0.46
ITK Q08881 5/20 0.46
BRAF P15056 3/20 0.46
IGF1R P08069 2/20 0.45
AXL P30530 1/20 0.44
KIT P10721 2/20 0.43
NTRK1 P04629 2/20 0.42
PAK1 Q13153 1/20 0.42
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL4570630 0.90 BTK (0.48) RIPK1BTKITKBRAFAXL
SCHEMBL298060 0.86 CYP2C9 (0.51) RIPK1BTKITKBRAFIGF1R
SCHEMBL7872452 0.86 AAK1 (0.51) RIPK1BTKITKAXLKIT
SCHEMBL7875664 0.86 RIPK1 (0.46) RIPK1BTKITKBRAFIGF1R
SCHEMBL858764 0.84 AXL (0.58) ITKBRAFAXLKITNTRK1
SCHEMBL7879446 0.84 AXL (0.58) RIPK1ITKBRAFAXLKIT
SCHEMBL298899 0.83 CAMKK2 (0.56) RIPK1BRAFAXLKITPAK1
SCHEMBL298672 0.81 AXL (0.52) RIPK1BTKITKBRAFAXL
SCHEMBL857559 0.81 KIT (0.54) RIPK1BRAFIGF1RAXLKIT
SCHEMBL20086218 0.81 DYRK1A (0.56) RIPK1BRAFAXLNTRK1PAK1

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-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed