SCHEMBL17757496

SCHEMBL17757496

NCc1ccccc1CNC1=Nc2ccccc2NC12CCOCC2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.35

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
SCHEMBL17758060 0.89 STAT6 (0.32) —
SCHEMBL17757132 0.88 PIM1 (0.34) PIM1
SCHEMBL17757325 0.87 PIK3CA (0.39) —
SCHEMBL17757289 0.87 ACAT2 (0.39) PIM1
SCHEMBL17757337 0.86 CYP2A13 (0.36) —
SCHEMBL17757340 0.86 CYP2A13 (0.36) —
SCHEMBL17757389 0.86 PIM1 (0.33) PIM1
SCHEMBL17757324 0.86 CYP2A13 (0.36) PIM1
SCHEMBL17757488 0.86 PIK3CB (0.32) —
SCHEMBL17757490 0.86 — —

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-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — WO disclosed
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