SCHEMBL20217243

SCHEMBL20217243

CCC(NC(=O)c1ccc(N)c(C(C)=N)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PPARG P37231 11/20 0.50
KCNA5 P22460 2/20 0.48
TACR3 P29371 3/20 0.45
TACR2 P21452 2/20 0.45
SLC6A9 P48067 1/20 0.45

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
SCHEMBL20217342 0.91 APLNR (0.49) PPARGTACR3
SCHEMBL20217347 0.88 ALDH1A1 (0.47) KDM4EALDH1A1LMNAPPARG
SCHEMBL20217138 0.88 ROCK1 (0.52) KDM4ETACR3
SCHEMBL20217203 0.87 TAS1R3 (0.59) TACR3
SCHEMBL20217176 0.87 ROCK2 (0.50) LMNA
SCHEMBL20217320 0.84 KCNK3 (0.44) PPARG
SCHEMBL20217596 0.82 KCNK3 (0.40) ALDH1A1LMNAHPGD
SCHEMBL2473197 0.78 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL4797426 0.78 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL20217634 0.77 TAS1R3 (0.40) KDM4EALDH1A1PPARG

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