SCHEMBL3243175

SCHEMBL3243175

CC1CNCC(N(C(=O)O)c2ccncc2N)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3243166 1.00 KDM4E (0.32) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL1711614 0.91
SCHEMBL3242225 0.85
SCHEMBL1710373 0.83 KDM4E (0.32) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL1710369 0.83 KDM4E (0.32) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3228821 0.83 KDM4E (0.32) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL4443693 0.81 KDM4E (0.32) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3239889 0.80 KDM4E (0.33) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3239906 0.80 KDM4E (0.33) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL12495335 0.78 PIM1 (0.36)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935270-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS Novartis AG (CH) 2015-10-28 EP disclosed
EP-2861585-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2015-04-22 EP disclosed
WO-2014099880-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2014-06-26 WO disclosed
WO-2014033630-A1 NOVEL AMINOTHIAZOLE CARBOXAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-06 WO disclosed
EP-2681195-A1 NOVEL KINASE INHIBITORS Novartis AG (CH) 2014-01-08 EP disclosed
WO-2013175388-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-11-28 WO disclosed
WO-2012120428-A1 NOVEL KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 WO disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed