Sugi Predict

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SCHEMBL4253676

SCHEMBL4253676

Cc1cc2cc([C@@H](C(C)C)N(CCCN)C(=O)c3ccc(Br)cc3)n(Cc3ccccc3)c(=O)n2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 18/20 0.52
▸ MAP1LC3B Q9GZQ8 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ KIF23 Q02241 1/20 0.51
▸ HTT P42858 1/20 0.46

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
SCHEMBL4253673 1.00 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4250317 0.93 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4250311 0.93 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4248828 0.92 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4248831 0.92 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4251880 0.91 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4251878 0.91 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4250117 0.90 KIF11 (0.50) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4250114 0.90 KIF11 (0.50) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4248793 0.89 KIF11 (0.51) 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 disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 — — WO disclosed