SCHEMBL6201973

SCHEMBL6201973

CC(C)N1CCN(c2ccc(-c3oc4ncnc(N5CCC(O)CC5)c4c3-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.56
HRH3 Q9Y5N1 4/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RPS6KB1 P23443 12/20 0.39
EGFR P00533 1/20 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
SCHEMBL6201006 0.92 AURKA (0.66) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6202620 0.88 AURKA (0.60) AURKAALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6200951 0.87 AURKA (0.59) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6200494 0.82 AURKA (0.71) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6200264 0.82 AURKA (0.64) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6200961 0.79 AURKA (0.71) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6201508 0.78 AURKA (0.59) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6200887 0.77 AURKA (0.57) AURKAALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6204384 0.77 AURKA (0.44) AURKAALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6203308 0.76 AURKA (0.55) 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 3 patents. 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
EP-1425283-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-06-09 EP disclosed
WO-2003018589-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-03-06 WO disclosed