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SCHEMBL4056826

SCHEMBL4056826

Cc1ccc(C(=O)N(CCCCN(C)C)CCC(C)c2nc3c(Cl)c(C)nn3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 19/20 0.42
▸ MAP1LC3B Q9GZQ8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KIF23 Q02241 1/20 0.39

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
SCHEMBL4055441 0.98 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4047670 0.95 KIF11 (0.40) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4245630 0.84 KIF11 (0.41) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4249156 0.80 KIF11 (0.40) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4255915 0.79 KIF11 (0.40) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4049313 0.79 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4049316 0.79 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4048855 0.78 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4048860 0.78 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4056823 0.78 KIF11 (0.46) 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-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 — — EP claimed
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 — — EP disclosed