SCHEMBL5801696

SCHEMBL5801696

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.48
POLB P06746 1/20 0.40

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
SCHEMBL5787729 0.88 KIF11 (0.61) KIF11
SCHEMBL5801695 0.87 KIF11 (0.65) KIF11POLB
SCHEMBL5789424 0.87 KIF11 (0.52) KIF11
SCHEMBL5791893 0.87 KIF11 (0.54) KIF11
SCHEMBL5783480 0.85 KIF11 (0.52) KIF11
SCHEMBL5787320 0.84 KIF11 (0.51) KIF11
SCHEMBL5784446 0.82 KIF11 (0.68) KIF11
SCHEMBL5789930 0.82 KIF11 (0.44) KIF11
SCHEMBL5784162 0.81 KIF11 (0.64) KIF11
SCHEMBL5786835 0.80 KIF11 (0.60) 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