SCHEMBL6203462

SCHEMBL6203462

CC(=O)NC1CCN(c2ccc(-c3oc4ncnc(N5CCC(N(C(=O)O)C(C)(C)C)CC5)c4c3-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.42
EGFR P00533 2/20 0.39
LRRK2 Q5S007 2/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
SYK P43405 1/20 0.36
TDO2 P48775 2/20 0.35
PAK1 Q13153 1/20 0.35
RET P07949 1/20 0.35
MCHR1 Q99705 1/20 0.35
MERTK Q12866 2/20 0.34
AXL P30530 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL6848519 0.86 CKS1B (0.43) AURKAEGFRLRRK2STK4STK3
Hydrochloric Acid SCHEMBL6204384 0.86 AURKA (0.44) AURKAEGFRLRRK2STK4STK3
SCHEMBL6201890 0.83 AURKA (0.51) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6201006 0.77 AURKA (0.66) AURKAEGFRLRRK2STK4STK3
SCHEMBL6198397 0.76 AURKA (0.50) AURKALRRK2STK4STK3ALDH1A1
SCHEMBL6848492 0.76 AURKA (0.44) AURKALRRK2STK4STK3ALDH1A1
SCHEMBL6202620 0.74 AURKA (0.60) AURKAEGFRLRRK2STK4STK3
SCHEMBL6846664 0.74 AURKA (0.55) AURKAALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6200951 0.73 AURKA (0.59) AURKAEGFRLRRK2STK4STK3
SCHEMBL6201973 0.73 AURKA (0.56) AURKAEGFRALDH1A1HPGDTSHR

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