SCHEMBL20217342

SCHEMBL20217342

CCC[C@H](NC(=O)c1ccc(N)c(C(C)=N)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 16/20 0.49
TACR3 P29371 1/20 0.47
PPARG P37231 1/20 0.46

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
SCHEMBL20217138 0.91 ROCK1 (0.52) APLNRTACR3
SCHEMBL20217243 0.91 KDM4E (0.51) TACR3PPARG
SCHEMBL20217347 0.86 ALDH1A1 (0.47) PPARG
SCHEMBL20217203 0.85 TAS1R3 (0.59) APLNRTACR3
SCHEMBL20217534 0.78 ROCK1 (0.48) APLNRTACR3PPARG
SCHEMBL20217176 0.78 ROCK2 (0.50)
SCHEMBL20217320 0.78 KCNK3 (0.44) PPARG
SCHEMBL6607705 0.77 UTS2R (0.58) TACR3
SCHEMBL29995987 0.77 APLNR (0.63) APLNRTACR3PPARG
SCHEMBL20217596 0.76 KCNK3 (0.40)

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