SCHEMBL6201890

SCHEMBL6201890

CC(C)(C)N(C(=O)O)C1CCN(c2ncnc3oc(-c4ccc(Br)cc4)c(-c4ccc(F)cc4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.51
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MERTK Q12866 1/20 0.36
THRB P10828 2/20 0.35
RPS6KB1 P23443 4/20 0.35
TNK2 Q07912 2/20 0.35
LCK P06239 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6203462 0.83 AURKA (0.42) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6200961 0.82 AURKA (0.71) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6846664 0.82 AURKA (0.55) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6202459 0.78 ALDH1A1 (0.53) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6202985 0.75 AURKA (0.87) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6203305 0.72 AURKA (0.49) AURKAALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6202056 0.72 AURKA (0.51) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6203559 0.71 ALDH1A1 (0.66) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6203768 0.71 ALDH1A1 (0.66) AURKAALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6841771 0.70 AURKA (0.48) AURKAALDH1A1HPGDTSHRHSD17B10

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-1425283-B1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-03-16 EP disclosed