Sugi Predict

Sugi Predict / Compounds / SCHEMBL6207616

SCHEMBL6207616

SCHEMBL6207616

CCC(c1nc2snc(C)c2c(=O)n1Cc1ccc(F)cc1)N(CCCN)C(=O)c1ccc(C)cc1.CCC(c1nc2snc(C)c2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(Br)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 20/20 0.85
▸ KIF23 Q02241 1/20 0.70

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
SCHEMBL3863606 0.94 KIF11 (0.86) KIF11KIF23
SCHEMBL3869255 0.94 KIF11 (0.88) KIF11KIF23
SCHEMBL3873522 0.94 KIF11 (0.88) KIF11KIF23
SCHEMBL3869945 0.94 KIF11 (0.86) KIF11KIF23
SCHEMBL3863609 0.94 KIF11 (0.86) KIF11KIF23
SCHEMBL3869259 0.94 KIF11 (0.88) KIF11KIF23
Hydrochloric Acid SCHEMBL3863976 0.93 KIF11 (0.84) KIF11KIF23
Hydrochloric Acid SCHEMBL3875181 0.93 KIF11 (0.87) KIF11KIF23
Hydrochloric Acid SCHEMBL3863972 0.92 KIF11 (0.83) KIF11KIF23
Hydrochloric Acid SCHEMBL3875179 0.92 KIF11 (0.86) 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-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 — — EP claimed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 — — WO claimed