SCHEMBL12687470

SCHEMBL12687470

C[C@@H]1[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(Br)ccc2N)C[C@@H]1C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 19/20 0.59
▸ PIM1 P11309 18/20 0.59
▸ PIM2 Q9P1W9 18/20 0.59
▸ GSK3B P49841 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL15947849 0.85 PIM2 (0.61) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL12080220 0.83 PIM2 (0.69) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL12687854 0.82 PIM1 (0.62) PIM3PIM1PIM2GSK3B
SCHEMBL12687646 0.81 PIM1 (0.56) PIM3PIM1PIM2GSK3B
SCHEMBL12092818 0.81 PIM2 (0.71) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL12092670 0.80 PIM2 (0.63) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL12687550 0.80 PIM1 (0.59) PIM3PIM1PIM2GSK3B
SCHEMBL12687540 0.78 PIM1 (0.57) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL15613719 0.77 PIM3 (0.90) PIM3PIM1PIM2GSK3B
SCHEMBL12687517 0.76 PIM1 (0.78) PIM3PIM1PIM2

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-2012120415-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 — — WO disclosed
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