SCHEMBL20217320

SCHEMBL20217320

CCC(NC(=O)c1ccc(N)c(C(C)=N)c1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.44
CTSA P10619 11/20 0.43
PPARG P37231 4/20 0.39

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
SCHEMBL20217174 0.89 GRN (0.43) CTSA
SCHEMBL20217148 0.89 GRN (0.43) CTSA
SCHEMBL20217147 0.87 CTSA (0.40) KCNK3CTSA
SCHEMBL20217493 0.86 CTSA (0.39) CTSA
SCHEMBL20217243 0.84 KDM4E (0.51) PPARG
SCHEMBL20217242 0.79 AKT1 (0.41)
SCHEMBL20217596 0.78 KCNK3 (0.40) KCNK3
SCHEMBL20217342 0.78 APLNR (0.49) PPARG
SCHEMBL20217176 0.77 ROCK2 (0.50)
SCHEMBL20217347 0.76 ALDH1A1 (0.47) PPARG

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
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed