Sugi Predict

Sugi Predict / Compounds / SCHEMBL4249156

SCHEMBL4249156

SCHEMBL4249156

Cc1ccc(C(=O)N(CCC(C)c2cc3c(Cl)c(C)nn3c(=O)n2Cc2ccccc2)CCN(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 17/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KIF23 Q02241 1/20 0.36
▸ LIMK2 P53671 1/20 0.35

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
SCHEMBL4245630 0.95 KIF11 (0.41) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4255915 0.91 KIF11 (0.40) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4245138 0.89 KIF11 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4252370 0.89 KIF11 (0.37) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4255875 0.88 PTGDR2 (0.41) KIF11
SCHEMBL4251314 0.88 KIF11 (0.36) KIF11
SCHEMBL4255895 0.87 KIF11 (0.36) KIF11
SCHEMBL4047670 0.85 KIF11 (0.40) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4056826 0.80 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4055441 0.80 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 — — EP claimed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 — — WO claimed