SCHEMBL1911289

SCHEMBL1911289

CC1[C@H](O)C[C@H](c2ccncc2NC(=O)c2ncccc2N)O[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 18/20 0.47
PIM1 P11309 16/20 0.47
PIM3 Q86V86 16/20 0.47
GSK3B P49841 1/20 0.46
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL10278603 0.83 CYP3A4 (0.49) PIM2PIM1PIM3GSK3BCYP3A4
SCHEMBL10278517 0.82 PIM1 (0.46) PIM2PIM1PIM3GSK3BCYP3A4
SCHEMBL1911287 0.81 PIM2 (0.53) PIM2PIM1PIM3GSK3B
SCHEMBL319247 0.81 PIM2 (0.56) PIM2PIM1PIM3GSK3BCYP3A4
SCHEMBL1911163 0.75 PIM1 (0.48) PIM2PIM1PIM3GSK3BCYP3A4
SCHEMBL14892221 0.73 PIM1 (0.68) PIM2PIM1PIM3GSK3B
SCHEMBL14892377 0.73 PIM1 (0.68) PIM2PIM1PIM3GSK3B
SCHEMBL1911197 0.73 PIM1 (0.64) PIM2PIM1PIM3
SCHEMBL1911195 0.73 PIM1 (0.64) PIM2PIM1PIM3GSK3B
SCHEMBL1911228 0.73 GSK3B (0.56) PIM2GSK3BCYP3A4

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