SCHEMBL1578831

SCHEMBL1578831

O=C(O)N1CCN(C(=O)c2cccc(-c3ccnc(F)c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DPP4 P27487 2/20 0.46
▸ DPP9 Q86TI2 2/20 0.46
▸ SCN9A Q15858 11/20 0.45
▸ ERN1 O75460 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LANCL2 Q9NS86 1/20 0.43
▸ GNE Q9Y223 1/20 0.43
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40

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
SCHEMBL1580442 0.84 POLB (0.47) SCN9AERN1
SCHEMBL5671643 0.81 KMO (0.50) L3MBTL1ERN1
SCHEMBL1579578 0.79 PRKD1 (0.48) —
SCHEMBL3075269 0.78 GNE (0.55) L3MBTL1DPP4DPP9SCN9AUSP2
SCHEMBL16065450 0.74 ROCK2 (0.46) SCN9A
SCHEMBL1461593 0.72 L3MBTL1 (0.86) L3MBTL1SMN1; SMN2
SCHEMBL1579454 0.71 PRKD1 (0.55) —
SCHEMBL15244228 0.71 SCN9A (0.49) DPP4DPP9SCN9AERN1LANCL2
SCHEMBL12753401 0.71 HSD11B1 (0.58) L3MBTL1DPP4DPP9SCN9AERN1
SCHEMBL1579600 0.70 CNR1 (0.47) L3MBTL1MAPK1SMN1; SMN2

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-2310381-A1 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER Novartis AG (CH) 2011-04-20 — — EP disclosed
WO-2009150230-A1 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER NOVARTIS AG (CH) 2009-12-17 — — WO disclosed
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