SCHEMBL4037601

SCHEMBL4037601

CCC(c1nc2onc(C(C)C)c2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.84

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
Hydrochloric Acid SCHEMBL4036199 0.99 KIF11 (0.83) KIF11
SCHEMBL4037139 0.93 KIF11 (0.74) KIF11
Hydrochloric Acid SCHEMBL4045046 0.93 KIF11 (0.73) KIF11
SCHEMBL3871453 0.92 KIF11 (1.00) KIF11
SCHEMBL3873980 0.92 KIF11 (1.00) KIF11
SCHEMBL3872670 0.92 KIF11 (1.00) KIF11
SCHEMBL4039867 0.91 KIF11 (0.70) KIF11
Hydrochloric Acid SCHEMBL3867081 0.91 KIF11 (0.98) KIF11
Hydrochloric Acid SCHEMBL3867077 0.90 KIF11 (0.97) KIF11
SCHEMBL5803232 0.90 KIF11 (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP claimed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
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