SCHEMBL5789333

SCHEMBL5789333

CCC(c1cc2onc(C)c2c(=O)n1Cc1ccccc1)N(CCC(N)=O)S(=O)(=O)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.43
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4037105 0.87 KIF11 (0.56) KIF11
SCHEMBL5787670 0.87 ALDH1A1 (0.40) KIF11ALDH1A1TP53KDM4ETSHR
SCHEMBL5810502 0.84 KIF11 (0.42) KIF11TP53POLB
SCHEMBL5786715 0.83 KIF11 (0.50) KIF11
SCHEMBL5787729 0.81 KIF11 (0.61) KIF11
SCHEMBL5789930 0.79 KIF11 (0.44) KIF11
SCHEMBL5789262 0.78 KIF11 (0.52) KIF11
SCHEMBL5789424 0.78 KIF11 (0.52) KIF11
SCHEMBL5791893 0.78 KIF11 (0.54) KIF11
SCHEMBL5788985 0.77 KIF11 (0.44) KIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628981-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO disclosed