SCHEMBL3937141

SCHEMBL3937141

CC(C)(C)[Si](C)(C)OCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 3/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 6/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.46
DPP4 P27487 1/20 0.46
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1022867 0.82 MAPT (0.55) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL14658935 0.81 MAPT (0.64) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL30672834 0.81 MAPT (0.64) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL7751102 0.80 MAPT (0.59) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL13602607 0.79 KMT2A (0.60) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL30189760 0.78 CYP2C19 (0.44) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL14658583 0.78 CYP2C19 (0.44) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL29481726 0.78 GABRA5 (0.44) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL16973106 0.78 GABRA5 (0.44) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL15205661 0.78 ATM (0.43) MAPTKMT2AMEN1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed