SCHEMBL4445784

SCHEMBL4445784

Nc1ccc(Br)nc1C(=O)Nc1cnccc1N(C(=O)O)C1CNCC(CO)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 19/20 0.37
PIM2 Q9P1W9 18/20 0.37
PIM1 P11309 15/20 0.37
CNR1 P21554 1/20 0.33

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
SCHEMBL4442477 0.90 PIM2 (0.36) PIM3PIM2PIM1CNR1
SCHEMBL4436847 0.88 PIM3 (0.38) PIM3PIM2PIM1
SCHEMBL4439362 0.83 PIM2 (0.34) PIM3PIM2PIM1
SCHEMBL4436056 0.78 PIM2 (0.38) PIM3PIM2PIM1
SCHEMBL3414976 0.74 KDM4E (0.37)
SCHEMBL3414980 0.74 KDM4E (0.37)
SCHEMBL4438077 0.74 PIM2 (0.38) PIM3PIM2PIM1
SCHEMBL4434926 0.74 PIM2 (0.34) PIM3PIM2PIM1
SCHEMBL4437099 0.74 PIM2 (0.34) PIM3PIM2PIM1
SCHEMBL4438383 0.74 PIM2 (0.34) PIM3PIM2PIM1

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed