SCHEMBL14838532

SCHEMBL14838532

Cn1ncc(N)c1N1CCC[C@@H](F)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 15/20 0.40
PIM3 Q86V86 10/20 0.40
PIM1 P11309 10/20 0.40
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL14905659 0.88 PIM2 (0.47) PIM2PIM3PIM1
SCHEMBL2525454 0.84 PIM2 (0.46) PIM2PIM3PIM1
SCHEMBL2521998 0.84 PIM2 (0.46) PIM2PIM3PIM1LRRK2
SCHEMBL14838538 0.84 PIM2 (0.46) PIM2PIM3PIM1LRRK2
SCHEMBL14838485 0.84 SMPD3 (0.40) PIM2PIM3PIM1LRRK2
SCHEMBL14838534 0.81 MAP4K4 (0.39) PIM2PIM3PIM1
SCHEMBL14838516 0.81 LRRK2 (0.36) PIM2PIM3PIM1LRRK2
SCHEMBL14800848 0.80 PIM1 (0.48) PIM2PIM3PIM1
SCHEMBL14838350 0.80 PIM1 (0.35) PIM2PIM3PIM1
SCHEMBL14838568 0.78 PIK3CA (0.39) PIM2PIM3PIM1

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-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed