SCHEMBL5740939

SCHEMBL5740939

Cc1nsc2nc(CCCN(CCCNC(=O)OC(C)(C)C)C(=O)c3ccc(Cl)cc3)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.47
KIF23 Q02241 1/20 0.46
TLR7 Q9NYK1 6/20 0.38
GNRHR P30968 1/20 0.37
MC4R P32245 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5246236 0.95 KIF11 (0.52) KIF11KIF23TLR7GNRHRMC4R
SCHEMBL4066353 0.87 KIF11 (0.45) KIF11KIF23GNRHRMC4RSMN1; SMN2
SCHEMBL5739482 0.87 KIF11 (0.51) KIF11KIF23MAPT
SCHEMBL3959159 0.86 KIF11 (0.60) KIF11KIF23
SCHEMBL5247152 0.85 KIF11 (0.52) KIF11KIF23MC4R
SCHEMBL5740661 0.84 TLR7 (0.43) KIF11KIF23TLR7GNRHRSIGMAR1
SCHEMBL4044239 0.84 KIF11 (0.68) KIF11KIF23
SCHEMBL3961576 0.82 KIF11 (0.57) KIF11KIF23
SCHEMBL3905973 0.81 KIF11 (0.51) KIF11KIF23TLR7GNRHRMC4R
SCHEMBL3957584 0.81 KIF11 (0.57) KIF11KIF23

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