SCHEMBL10278615

SCHEMBL10278615

CC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccnc(-n3ccc(=O)cc3)n2)CC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 9/20 0.39
▸ PIM3 Q86V86 10/20 0.38
▸ PIM2 Q9P1W9 10/20 0.38
▸ PIM1 P11309 9/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL14906181 0.87 PIM2 (0.41) PIM3PIM2PIM1
SCHEMBL10278515 0.85 PIM1 (0.42) PIM3PIM2PIM1
SCHEMBL14891214 0.73 PIM1 (0.44) PIM3PIM2PIM1
SCHEMBL1911224 0.72 PIM1 (0.47) PIM3PIM2PIM1
SCHEMBL14906165 0.68 PIM1 (0.62) PIM3PIM2PIM1
SCHEMBL14906208 0.64 PIM1 (0.69) PIM3PIM2PIM1GSK3B
SCHEMBL14906105 0.64 PIM1 (0.69) PIM3PIM2PIM1GSK3B
SCHEMBL1911159 0.63 PIM1 (0.64) PIM3PIM2PIM1GSK3B
SCHEMBL14892242 0.63 CRBN (0.46) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL14906182 0.62 PIM2 (0.59) PIM3PIM2PIM1GSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 — — WO disclosed
Send feedback