SCHEMBL3936626

SCHEMBL3936626

O=C(Nc1cccnc1)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
CYP11B2 P19099 4/20 0.65
CYP11B1 P15538 3/20 0.65
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 5/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 5/20 0.55
GRM5 P41594 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
PPARG P37231 2/20 0.53
ALOX15 P16050 1/20 0.53
PPARA Q07869 1/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL26758011 0.88 SMN1; SMN2 (0.74) SMN1; SMN2CYP11B2CYP11B1KMT2AMEN1
SCHEMBL3933183 0.85 SMN1; SMN2 (0.71) SMN1; SMN2CYP11B2CYP11B1KMT2AMEN1
SCHEMBL3937705 0.85 SMN1; SMN2 (0.82) SMN1; SMN2CYP11B2CYP11B1KMT2AMEN1
SCHEMBL1456273 0.84 MAPT (0.71) SMN1; SMN2KMT2AMEN1MAPTNPSR1
SCHEMBL3934052 0.82 GAA (0.69) SMN1; SMN2CYP11B2CYP11B1KMT2AMEN1
SCHEMBL13163904 0.81 CYP11B2 (0.70) SMN1; SMN2CYP11B2CYP11B1KMT2AMEN1
SCHEMBL2568462 0.81 MAPT (0.58) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL6939622 0.80 RXFP1 (0.64) SMN1; SMN2MAPTNPSR1ALDH1A1LMNA
SCHEMBL7128348 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CYP11B2CYP11B1KMT2AMEN1
SCHEMBL3940427 0.80 CYP11B2 (0.71) CYP11B2CYP11B1KMT2AMEN1ALDH1A1

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 5 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
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed